SCHEMBL17807802

SCHEMBL17807802

CC(C)c1ccc2ncc(=O)n(C(C)C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
MAPK8 P45983 7/20 0.36
MAPK10 P53779 5/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
AURKA O14965 1/20 0.34
LIMK1 P53667 1/20 0.34
AURKB Q96GD4 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34

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
SCHEMBL20251396 0.80 CSNK1E (0.39) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL19200861 0.79 CDK4 (0.43) CDK4CCND1CCND2CCND3HPGD
SCHEMBL20753951 0.79 PDE10A (0.42) ATMATRMTORCYP1A2
SCHEMBL17807805 0.78 CDK4 (0.36) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL17807800 0.76 CYP1A2 (0.39) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL22200718 0.73 MTOR (0.40) CDK4CCND1CCND2CCND3HPGD
SCHEMBL22190717 0.73 CYP1A2 (0.39) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL17807777 0.73 CDK4 (0.44) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL17807778 0.73 CYP1A2 (0.33) CDK4CCND1CCND2CCND3HPGD
SCHEMBL30278828 0.71 KDM4E (0.38) CDK4CCND1CCND2CCND3MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2021-06-17 US disclosed
US-10772892-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2020-09-15 US disclosed
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US 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 (6 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 CDK4 192/4885CCND1 1070/4885CCND2 743/4885
US-10772892-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 CDK4 192/4885CCND1 1070/4885CCND2 743/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK4 238/4885CCND1 1185/4885CCND2 934/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK4 238/4885CCND1 1185/4885CCND2 934/4885
US-20210177855-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK4 238/4885CCND1 1185/4885CCND2 934/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CDK4 238/4885CCND1 1185/4885CCND2 934/4885

“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.