SCHEMBL2738313

SCHEMBL2738313

CC(C)c1nn(C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SSTR4 P31391 1/20 0.47
GPR3 P46089 1/20 0.41
MAPK13 O15264 1/20 0.41
EIF2AK2 P19525 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
DDB1 Q16531 4/20 0.39
CRBN Q96SW2 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22308330 0.85 KDM4E (0.46) KDM4ESSTR4GPR3MAPK13EIF2AK2
SCHEMBL12535857 0.85 KDM4E (0.50) KDM4ESSTR4GPR3MAPK13EIF2AK2
SCHEMBL16256140 0.85 KDM4E (0.46) KDM4ESSTR4GPR3MAPK13EIF2AK2
SCHEMBL20458071 0.82 KDM4E (0.44) KDM4ESSTR4GPR3MAPK13EIF2AK2
SCHEMBL19954900 0.79 KDM4E (0.42) KDM4ESSTR4GPR3MAPK13EIF2AK2
SCHEMBL28848043 0.78 TSHR (0.38) KDM4ESSTR4GPR3ADORA1ADORA3
SCHEMBL14158377 0.78 PDE5A (0.41) KDM4ESSTR4GPR3CNR2ADORA1
SCHEMBL13708517 0.78 MPO (0.42) SSTR4ADORA1ALDH1A1CYP3A4TSHR
SCHEMBL18346735 0.77 LMNA (0.60) ALDH1A1MEN1CYP2D6KMT2ALMNA
SCHEMBL12535855 0.77 KDM4E (0.43) KDM4ESSTR4GPR3MAPK13EIF2AK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 US disclosed
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
WO-2023215482-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 WO disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 US disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
US-20100256210-A1 METHODS AND COMPOSITIONS FOR DELIVERING 5-HT3 ANTAGONISTS ACROSS THE ORAL MUCOSA TRANSORAL PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20090137614-A1 Pharmaceutical combination comprising vitamin k SHIONOGI & CO., LTD. (JP) 2009-05-28 US disclosed
US-20080213363-A1 Ionized form capable of being converted into an un-ionized form; and buffer system changes the pH of saliva from an arbitrary initial pH to a predetermined final pH; sodium carbonate and sodium bicarbonate; acetic acid and sodium acetate; lozenge, chewing gum, dissolving tablet TRANSORAL PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R KDM4E 3007/4885SSTR4 321/4885GPR3 116/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 KDM4E 3313/4885SSTR4 3719/4885GPR3 523/4885
US-20090137614-A1 Pharmaceutical combination comprising vitamin k PPARD, PROC, VDR KDM4E 2655/4885SSTR4 4793/4885GPR3 518/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD KDM4E 2722/4885SSTR4 2503/4885GPR3 1691/4885
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer HSD17B7, CYP17A1, HSD17B11 KDM4E 3479/4885SSTR4 3524/4885GPR3 1215/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3304/4885SSTR4 3716/4885GPR3 524/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 KDM4E 104/4885SSTR4 4003/4885GPR3 1484/4885
US-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 KDM4E 1040/4885SSTR4 4028/4885GPR3 1193/4885
US-20080213363-A1 Ionized form capable of being converted into an un-ionized form; and buffer system changes the pH of saliva from an arbitrary initial pH to a predetermined final pH; sodium carbonate and sodium bicarbonate; acetic acid and sodium acetate; lozenge, chewing gum, dissolving tablet SI, HTR3A, GALR3 KDM4E 3527/4885SSTR4 1164/4885GPR3 43/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 KDM4E 3330/4885SSTR4 3725/4885GPR3 520/4885
US-20100256210-A1 METHODS AND COMPOSITIONS FOR DELIVERING 5-HT3 ANTAGONISTS ACROSS THE ORAL MUCOSA SLC9A3, HTR3A, HTR3C KDM4E 4184/4885SSTR4 255/4885GPR3 79/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.