SCHEMBL2190695

SCHEMBL2190695

O=C1NCCN1c1ccnc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND3 P30281 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
MAP3K5 Q99683 1/20 0.40
IDH1 O75874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNC P24863 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
SCHEMBL394023 0.81 HRH3 (0.58) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL17600999 0.80 IDH1 (0.45) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL2193369 0.77 ALOX5 (0.61) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL30712348 0.77 ALOX5 (0.61) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL23019798 0.76 CCNT1 (0.45) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL412734 0.73 TDO2 (0.48) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL2191726 0.73 ALOX5 (0.40) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL17913017 0.71 ROCK2 (0.47) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL2198674 0.70 CRBN (0.63) CDK7CDK9CDK5MAP3K5CYP3A4
SCHEMBL30702779 0.70 CRBN (0.63) CDK7CDK9CDK5MAP3K5CYP3A4

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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP disclosed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 CCNT1 1357/4885CDK4 607/4885CCND1 1247/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CCNT1 694/4885CDK4 573/4885CCND1 715/4885

“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.