SCHEMBL1468232

SCHEMBL1468232

COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)cc1-c1ccnc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.44
CCNT1 O60563 6/20 0.40
CDK9 P50750 6/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SUV39H2 Q9H5I1 4/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
GPR119 Q8TDV5 3/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL1468233 1.00 TBK1 (0.44) TBK1CCNT1CDK9USP30MEN1
SCHEMBL1467803 0.90 TBK1 (0.47) TBK1CCNT1CDK9SMARCA2SMARCA4
SCHEMBL1467800 0.90 TBK1 (0.47) TBK1CCNT1CDK9SMARCA2SMARCA4
SCHEMBL5750050 0.89 CCR1 (0.38) CCNT1CDK9SUV39H2
SCHEMBL1467567 0.84 TBK1 (0.47) TBK1CCNT1USP30SMARCA2SMARCA4
SCHEMBL1467568 0.84 TBK1 (0.47) TBK1CCNT1USP30SMARCA2SMARCA4
SCHEMBL3400566 0.82 TBK1 (0.45) TBK1USP30SMARCA2SMARCA4PBRM1
SCHEMBL3400565 0.82 TBK1 (0.45) TBK1USP30SMARCA2SMARCA4PBRM1
SCHEMBL1468149 0.80 SMARCA2 (0.42) TBK1CCNT1CDK9USP30SMARCA2
SCHEMBL1468147 0.80 SMARCA2 (0.42) TBK1CCNT1CDK9USP30SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 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 (2 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE TBK1 64/4885CCNT1 2855/4885CDK9 487/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE TBK1 64/4885CCNT1 2855/4885CDK9 487/4885

“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.