SCHEMBL5765787

SCHEMBL5765787

N#Cc1ccc(N)c(NCCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.57
CDK8 P49336 2/20 0.57
CDKN1A P38936 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
RPS27 P42677 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
POLB P06746 1/20 0.40
CDK2 P24941 1/20 0.40
PKM P14618 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL16489549 0.85 HSD17B10 (0.53) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL4240379 0.84 CCNC (0.48) CCNCCDK8CDKN1ACDK19ALDH1A1
SCHEMBL28441434 0.80 HDAC6 (0.48) ALDH1A1KDM4EGAAHDAC6MAOA
SCHEMBL29484071 0.78 KDM4E (0.41) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL14421587 0.78 KDM4E (0.41) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL5776093 0.78 KDM4E (0.41) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL20571616 0.78 KAT2B (0.42) CCNCCDK8CDKN1ACDK19ALDH1A1
SCHEMBL20571668 0.78 KDM4E (0.41) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL1519229 0.77 CCNC (0.55) CCNCCDK8ALDH1A1KDM4EGAA
SCHEMBL5766147 0.77 HTR6 (0.58) CCNCCDK8CDKN1ACDK19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 US disclosed
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 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 (1 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A CCNC 2866/4885CDK8 2182/4885CDKN1A 2807/4885

“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.