SCHEMBL3306560

SCHEMBL3306560

COC(=O)c1cc(OC)ccc1Nc1c(Br)c(C)nn1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.58
ADORA3 P0DMS8 1/20 0.47
TP53 P04637 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
PDE4B Q07343 1/20 0.41
TOP1 P11387 1/20 0.41

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
SCHEMBL1812448 0.90 ADORA1 (0.64) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1820321 0.89 ADORA1 (0.54) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3304966 0.88 ADORA1 (0.58) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1814360 0.85 ADORA1 (0.49) ADORA1ADORA3TP53ADORA2AADORA2B
SCHEMBL5175531 0.82 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL1814492 0.82 GFER (0.55) ADORA1TP53FABP3FABP4MAPT
SCHEMBL1810364 0.81 ADORA1 (0.52) ADORA1ADORA3TP53FABP3FABP4
SCHEMBL1813681 0.81 ADORA1 (0.88) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1817174 0.78 ADORA1 (0.50) ADORA1ADORA3ADORA2B
SCHEMBL1816999 0.78 ADORA1 (0.51) ADORA1ADORA3ADORA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADORA1 724/4885ADORA3 168/4885TP53 1591/4885

“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.