SCHEMBL1620488

SCHEMBL1620488

Brc1ccc(-n2cncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
FBP1 P09467 1/20 0.47
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPK10 P53779 1/20 0.39
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B2 P19099 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL15570965 0.94 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5663652 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4343120 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5535834 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL118713 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL9363173 0.78 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL676377 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL82347 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4573337 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL18716535 0.78 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658878-A Compound and preparation method thereof based on triazole 天津师范大学 2018-10-16 CN claimed
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
US-20240101558-A1 AMPK ACTIVATORS KALLYOPE, INC. 2024-03-28 US disclosed
US-11851429-B2 AMPK activators KALLYOPE, INC. (US) 2023-12-26 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
CN-116323608-A AMPK activator 卡尔优普公司 2023-06-23 CN disclosed
CN-116082369-A Organic electroluminescent material based on triazolopyridine and organic electroluminescent device 武汉尚赛光电科技有限公司 2023-05-09 CN disclosed
EP-4153589-A1 AMPK ACTIVATORS Kallyope, Inc. (US) 2023-03-29 EP disclosed
US-20110190327-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-7928230-B2 Method for modulating GPR119 G protein-coupled receptor and selected compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-19 US disclosed
CN-101801956-A Methods for modulating GPR119G protein-coupled receptors and selected compounds BRISTOL MYERS SQUIBB CO 2010-08-11 CN disclosed
EP-2173737-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS Bristol-Myers Squibb Company (US) 2010-04-14 EP disclosed
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
WO-2009012277-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
CN-101171239-A Electroluminescent device CIBA SC HOLDING AG (CH) 2008-04-30 CN disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO 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 (6 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 SMN1; SMN2 3815/4885KDM4E 688/4885ALDH1A1 4878/4885
US-20110190327-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS GPR119, GPR65, GPR84 SMN1; SMN2 2497/4885KDM4E 3957/4885ALDH1A1 2395/4885
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS GPR119, GPR65, GPR84 SMN1; SMN2 2497/4885KDM4E 3957/4885ALDH1A1 2395/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 SMN1; SMN2 4553/4885KDM4E 2755/4885ALDH1A1 761/4885
US-11851429-B2 AMPK activators PRKAG1, PRKAG2, PRKAG3 SMN1; SMN2 1174/4885KDM4E 765/4885ALDH1A1 2034/4885
US-20240101558-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAG3 SMN1; SMN2 1174/4885KDM4E 765/4885ALDH1A1 2034/4885

“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.