SCHEMBL3974518

SCHEMBL3974518

Cc1ccc(C(=O)O)c(Nc2cc(-c3ccc(F)cc3)nn2-c2c(C)cccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
NTRK1 P04629 1/20 0.38
ADORA1 P30542 1/20 0.38
TP53 P04637 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
LDHA P00338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 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
SCHEMBL3977196 0.93 ADORA1 (0.40) GRM5POLBMAPTNTRK1ADORA1
SCHEMBL3972877 0.92 MAPT (0.44) GRM5POLBMAPTNTRK1TP53
SCHEMBL3974168 0.89 ADORA1 (0.47) GRM5POLBMAPTADORA1TP53
SCHEMBL4251798 0.86 MAPT (0.41) GRM5POLBMAPTNTRK1ADORA1
SCHEMBL3979001 0.85 MAPT (0.39) GRM5POLBMAPTADORA1TP53
SCHEMBL3973641 0.83 MAPT (0.40) GRM5POLBMAPTNTRK1ADORA1
SCHEMBL3974125 0.82 ALDH1A1 (0.46) GRM5POLBMAPTADORA1TP53
SCHEMBL3980420 0.82 ADORA1 (0.47) POLBMAPTADORA1KDM4EALDH1A1
SCHEMBL3973215 0.81 MAPT (0.41) GRM5POLBMAPTADORA1TP53
SCHEMBL3974419 0.80 LMNA (0.39) GRM5POLBMAPTADORA1TP53

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-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP GRM5 1903/4885POLB 3716/4885MAPT 3713/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP GRM5 1903/4885POLB 3716/4885MAPT 3713/4885

“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.