SCHEMBL268925

SCHEMBL268925

Brc1cnc(NC2CCCNC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNK O75909 18/20 0.50
CDK12 Q9NYV4 18/20 0.50
CCNT1 O60563 17/20 0.50
CDK9 P50750 17/20 0.50
CCNE1 P24864 14/20 0.50
CDK2 P24941 14/20 0.50
CDK7 P50613 11/20 0.46
CCNH P51946 10/20 0.46
MNAT1 P51948 9/20 0.46
CRBN Q96SW2 1/20 0.45
CHEK1 O14757 1/20 0.44

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
SCHEMBL269583 1.00 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17961848 0.90 CCNT1 (0.41) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17961847 0.90 CCNT1 (0.41) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24695415 0.83 CCNT1 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30259588 0.81 KDM4E (0.61) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL12237657 0.81 KDM4E (0.59)
SCHEMBL10187962 0.81 KDM4E (0.53) CCNKCDK12
SCHEMBL25222649 0.80 IDH2 (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25258456 0.80 IDH2 (0.56) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL28312479 0.80 IDH2 (0.56) CCNKCDK12CCNT1CDK9CCNE1

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
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
EP-2094685-B1 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-19 EP disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 US disclosed
EP-2094685-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP disclosed
WO-2008065626-A2 3-HETEROARYL (AMINO OR AMIDO)-1- (BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVESAS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2008-06-05 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-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R CCNK 2134/4885CDK12 1669/4885CCNT1 1827/4885

“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.