SCHEMBL3974419

SCHEMBL3974419

COc1ccc(C)cc1-n1nc(-c2ccc(F)cc2)cc1Nc1nc(C)ccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
ADORA1 P30542 1/20 0.38
DHODH Q02127 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 2/20 0.35
CTSA P10619 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
GRM5 P41594 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL3979001 0.89 MAPT (0.39) LMNATP53ADORA1NPC1RAB9A
SCHEMBL3977217 0.87 DHODH (0.47) LMNAADORA1DHODHNPC1RAB9A
SCHEMBL3977196 0.84 ADORA1 (0.40) ADORA1DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3980420 0.84 ADORA1 (0.47) ADORA1MAPTSAE1GFERPOLB
SCHEMBL4251798 0.83 MAPT (0.41) LMNAADORA1DHODHNPC1RAB9A
SCHEMBL3973341 0.83 MAPK14 (0.40) LMNASMN1; SMN2GFER
SCHEMBL3974168 0.83 ADORA1 (0.47) LMNATP53ADORA1MAPTGRM5
SCHEMBL3975028 0.81 SMN1; SMN2 (0.38) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL3979961 0.81 MAPK14 (0.39) GFERPOLBTDP1ACLY
SCHEMBL3863281 0.81 MAPT (0.44) LMNATP53SMN1; SMN2MAPTGRM5

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 LMNA 3423/4885TP53 2635/4885ADORA1 1582/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP LMNA 3423/4885TP53 2635/4885ADORA1 1582/4885

“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.