SCHEMBL1684693

SCHEMBL1684693

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.80
CDK4 P11802 7/20 0.80
CCNE1 P24864 5/20 0.80
CDK1 P06493 1/20 0.61
CAMK2D Q13557 2/20 0.57
HDAC1 Q13547 4/20 0.55
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
IKBKG Q9Y6K9 1/20 0.51
GSK3B P49841 1/20 0.49

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
SCHEMBL1684670 0.92 CDK2 (0.76) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7978525 0.90 CDK2 (0.73) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL699562 0.90 CDK2 (0.73) CDK2CDK4CCNE1CDK1CAMK2D
SCHEMBL7981339 0.89 CDK2 (0.75) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7978515 0.88 CDK2 (0.60) CDK2CDK4CCNE1CDK1CAMK2D
SCHEMBL7974684 0.87 CDK2 (0.66) CDK2CDK4CCNE1CDK1CAMK2D
SCHEMBL1684643 0.87 CDK2 (0.86) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL7980905 0.85 CDK2 (0.57) CDK2CDK4CCNE1CAMK2DHDAC1
SCHEMBL7976887 0.85 CDK2 (0.57) CDK2CDK4CCNE1CAMK2DAURKA
SCHEMBL3540121 0.85 CDK2 (0.66) CDK2CDK4CCNE1CDK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP claimed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US claimed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US claimed
EP-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP claimed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO claimed
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 EP disclosed
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS BMI1, CREBBP, BAZ2A CDK2 1442/4885CDK4 1500/4885CCNE1 2093/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 CDK2 16/4885CDK4 15/4885CCNE1 75/4885

“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.