SCHEMBL1469152

SCHEMBL1469152

CC(C)(C)OC(=O)N1CCC(Nc2cccc(-c3ccnc(Cl)n3)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.49
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BTK Q06187 1/20 0.44
IDH1 O75874 1/20 0.43
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
PIK3CD O00329 1/20 0.43
CCNT1 O60563 1/20 0.43
PARP1 P09874 1/20 0.42
MET P08581 1/20 0.42
SYK P43405 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL1467081 0.95 USP30 (0.53) USP30PIM1PIM2PARP1
SCHEMBL1467354 0.95 ALDH1A1 (0.52) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL1466903 0.85 CCNT1 (0.48) USP30CCNT1PARP1BRD4
SCHEMBL28964756 0.82 USP30 (0.62) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28964759 0.82 USP30 (0.62) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL30958673 0.82 USP30 (0.62) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL1467928 0.81 CCNT1 (0.51) USP30MAPTMAPK1CCNT1SYK
SCHEMBL2331813 0.81 USP30 (0.50) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL2331810 0.81 USP30 (0.50) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL1467663 0.80 USP30 (0.51) USP30PIM1PIM2CCNT1PARP1

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 USP30 3252/4885ALDH1A1 4044/4885NPC1 3948/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE USP30 3252/4885ALDH1A1 4044/4885NPC1 3948/4885

“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.