SCHEMBL5043962

SCHEMBL5043962

COc1ccc(Nc2nc3ccc(C)cc3[nH]2)c(Oc2ccccc2C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CSNK1D P48730 5/20 0.42
ADORA2A P29274 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HIF1A Q16665 1/20 0.40
CSNK1G2 P78368 3/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
CREBBP Q92793 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 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
SCHEMBL1306719 0.90 CSNK1D (0.47) RAB9AMAPTLMNANPC1TP53
SCHEMBL6481602 0.90 RAB9A (0.45) RAB9AMAPTLMNANPC1TP53
SCHEMBL5039014 0.90 CSNK1D (0.54) RAB9AMAPTLMNANPC1TP53
SCHEMBL5039260 0.89 LMNA (0.42) RAB9AMAPTLMNANPC1TP53
SCHEMBL5047148 0.86 NPC1 (0.42) RAB9AMAPTLMNANPC1TP53
SCHEMBL5039245 0.86 NPC1 (0.42) RAB9AMAPTLMNANPC1TP53
SCHEMBL5044762 0.86 LMNA (0.43) RAB9AMAPTLMNANPC1TP53
SCHEMBL5043650 0.86 NPC1 (0.40) RAB9AMAPTLMNANPC1TP53
SCHEMBL5410922 0.85 ABL1 (0.52) RAB9AMAPTLMNANPC1TP53
SCHEMBL5039062 0.85 RAB9A (0.44) RAB9AMAPTLMNANPC1TP53

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
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP claimed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US claimed
JP-2007518809-A 2007-07-12 JP claimed
EP-1706398-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2006-10-04 EP claimed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 WO claimed
EP-1706398-B1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-05-21 EP 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 RAB9A 2199/4885MAPT 4134/4885LMNA 4150/4885

“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.