SCHEMBL1468147

SCHEMBL1468147

Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2C)cccc1-c1ccnc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
GPR119 Q8TDV5 9/20 0.41
TBK1 Q9UHD2 1/20 0.41
P2RX7 Q99572 2/20 0.39
CCNT1 O60563 2/20 0.39
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.38
ABCB1 P08183 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL1468149 1.00 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL5749316 0.88 CD274 (0.35)
SCHEMBL1467800 0.83 TBK1 (0.47) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1467803 0.83 TBK1 (0.47) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1467568 0.82 TBK1 (0.47) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1467567 0.82 TBK1 (0.47) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1470076 0.81 TBK1 (0.43) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1470077 0.81 TBK1 (0.43) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1468233 0.80 TBK1 (0.44) SMARCA2SMARCA4PBRM1GPR119TBK1
SCHEMBL1468232 0.80 TBK1 (0.44) SMARCA2SMARCA4PBRM1GPR119TBK1

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 SMARCA2 3069/4885SMARCA4 3082/4885PBRM1 2209/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE SMARCA2 3069/4885SMARCA4 3082/4885PBRM1 2209/4885

“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.