SCHEMBL3485162

SCHEMBL3485162

Nc1ccc(Oc2ccnc3[nH]ccc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.52
AXL P30530 1/20 0.50
PRKCI P41743 1/20 0.50
MET P08581 7/20 0.44
CYP3A4 P08684 1/20 0.44
RHEB Q15382 1/20 0.43
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 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
SCHEMBL2879737 0.84 ROCK2 (0.65) ROCK2METCYP3A4
SCHEMBL31554522 0.84 ROCK2 (0.65) ROCK2METCYP3A4
SCHEMBL4819441 0.83 AXL (0.49) ROCK2AXLPRKCIMET
Hydrochloric Acid SCHEMBL5097103 0.83 ROCK2 (0.64) ROCK2METCYP3A4
SCHEMBL4819121 0.81 IKBKB (0.52) ROCK2AXLPRKCIMET
SCHEMBL24885851 0.81 ROCK2 (0.49) ROCK2METCYP3A4
SCHEMBL31290944 0.81 ROCK2 (0.49) ROCK2METCYP3A4
SCHEMBL25793147 0.81 ROCK2 (0.53) ROCK2METCYP3A4
SCHEMBL29837329 0.81 ROCK2 (0.53) ROCK2METCYP3A4
SCHEMBL3484554 0.79 KMT2A (0.52) ROCK2AXLPRKCIMETCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US claimed
CN-117843567-A Diazaaryl ring substituted benzene derivatives, compositions and uses thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN disclosed
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (4 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ROCK2 395/4885AXL 452/4885PRKCI 25/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 ROCK2 433/4885AXL 880/4885PRKCI 22/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ROCK2 395/4885AXL 452/4885PRKCI 25/4885
US-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 ROCK2 648/4885AXL 131/4885PRKCI 592/4885

“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.