SCHEMBL5012019

SCHEMBL5012019

COc1ccc(Nc2c(-c3cc(Cl)ccc3OC)c(C)nn2-c2ccccc2C)c(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.74
ADORA3 P0DMS8 1/20 0.65
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL5008406 0.91 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5007775 0.91 ADORA1 (0.79) ADORA1ADORA3ADORA2AADORA2BPOLB
SCHEMBL5008333 0.90 ADORA1 (0.79) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5012091 0.89 ADORA1 (0.79) ADORA1ADORA3ADORA2AADORA2BPOLB
SCHEMBL14288865 0.86 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5090450 0.85 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL5010548 0.85 ADORA1 (0.94) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5008488 0.85 ADORA1 (0.78) ADORA1ADORA3ADORA2AADORA2BKDM4E
SCHEMBL5010624 0.85 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5012038 0.84 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BKDM4E

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 749/4885ADORA3 111/4885ADORA2A 1361/4885

“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.