SCHEMBL21849296

SCHEMBL21849296

COc1ccc2c(C(C)C)cnn2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 2/20 0.38
KDR P35968 5/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37
NTRK1 P04629 1/20 0.37
INSR P06213 1/20 0.37
CDK1 P06493 1/20 0.37
FGFR1 P11362 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
FLT3 P36888 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL21863439 0.79 BMP4 (0.39) BMP4KDRFLT1FLT4PLK4
SCHEMBL23109050 0.79 EPHB3 (0.39) HTR2BHSP90AA1HSP90AB1
SCHEMBL26661950 0.78 HTR2C (0.44) HTR2AHTR2CHTR2BHSP90AA1HSP90AB1
SCHEMBL26052008 0.78 PDE1A (0.31) HSP90AA1HSP90AB1PDE1APDE1BPDE1C
SCHEMBL21849298 0.77 KCNH2 (0.37) NTRK1HTR2AHTR2CHSP90AA1HSP90AB1
SCHEMBL24370198 0.77 EPHB3 (0.40) HTR2AHTR2CHSP90AA1HSP90AB1
SCHEMBL26067189 0.77 AHR (0.31) HTR2AHTR2C
SCHEMBL24566334 0.77 KDR (0.51) BMP4KDRFLT1FLT4PLK4
SCHEMBL17321419 0.75 EIF4A3 (0.41) NPBWR1MCHR1
SCHEMBL26671801 0.75 NR3C1 (0.32) HSP90AA1HSP90AB1PDE1APDE1BPDE1C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (2 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-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP BMP4 4720/4885KDR 2049/4885FLT1 3369/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 BMP4 4163/4885KDR 1552/4885FLT1 563/4885

“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.