SCHEMBL5007776

SCHEMBL5007776

COc1ccc(Nc2c(-c3ccccc3)cnn2-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
KDM4E B2RXH2 1/20 0.49
GFER P55789 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL5008308 0.97 ADORA1 (0.58) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5008390 0.94 ADORA1 (0.55) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5005398 0.93 ADORA1 (0.54) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5008518 0.92 ADORA1 (0.60) ADORA1ADORA2AADORA2BADORA3CA1
SCHEMBL5007761 0.86 ADORA1 (0.52) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5008556 0.81 ADORA1 (0.78) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5007752 0.78 GFER (0.55) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL5010555 0.77 GFER (0.61) ADORA1ADORA2AADORA2BFABP3FABP4
SCHEMBL17610517 0.77 KDM4C (0.51) ADORA1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17610417 0.75 MAPK1 (0.45) KDM4EMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2008-03-13 US disclosed
US-7265144-B2 Anilinopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-04 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 (1 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-20080064734-A1 Anilinopyrazole derivatives useful for the treatment of diabetes IAPP, GLP1R, GPR119 ADORA1 749/4885ADORA2A 1361/4885ADORA2B 977/4885

“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.