SCHEMBL1467533

SCHEMBL1467533

CC(C)(C)OC(=O)N1CCC(CNCc2cccc(-c3ccnc(Cl)n3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
BCHE P06276 4/20 0.46
CCNT1 O60563 2/20 0.44
CDK9 P50750 1/20 0.44
ACKR3 P25106 1/20 0.44
USP30 Q70CQ3 3/20 0.44
IRAK1 P51617 1/20 0.43
HDAC1 Q13547 1/20 0.42
TP53 P04637 1/20 0.42
METTL3 Q86U44 1/20 0.41
YAP1 P46937 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 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
SCHEMBL1467954 0.95 CCNT1 (0.47) HTR6CCNT1HDAC1TP53YAP1
SCHEMBL1466903 0.87 CCNT1 (0.48) CCNT1USP30TP53PARP1
SCHEMBL1467928 0.85 CCNT1 (0.51) CCNT1USP30TP53
SCHEMBL1469668 0.85 FAAH (0.46) CCNT1USP30HDAC1YAP1
SCHEMBL1467663 0.84 USP30 (0.51) HTR6BCHECCNT1ACKR3USP30
SCHEMBL1468041 0.84 SLC2A1 (0.44) CCNT1CDK9ACKR3USP30
SCHEMBL1468032 0.84 CCNT1 (0.43) CCNT1USP30TP53
SCHEMBL1468334 0.81 USP30 (0.43) CCNT1USP30METTL3
SCHEMBL1467766 0.80 PRMT5 (0.43) CCNT1USP30METTL3
SCHEMBL1467462 0.80 JAK2 (0.43) CCNT1USP30

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 8 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
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 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
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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 (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 HTR6 2911/4885BCHE 1555/4885CCNT1 2855/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE HTR6 2911/4885BCHE 1555/4885CCNT1 2855/4885

“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.