SCHEMBL18199864

SCHEMBL18199864

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CNC(=O)C(C)(F)F)c1nnc(C)n1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.71
BRDT Q58F21 9/20 0.71
ADORA3 P0DMS8 1/20 0.69
TSPO P30536 1/20 0.69
DNER Q8NFT8 2/20 0.68
BRD2 P25440 6/20 0.68
BRD3 Q15059 3/20 0.68
CREBBP Q92793 2/20 0.68
HDAC3 O15379 1/20 0.68
JAK2 O60674 1/20 0.68
BRD1 O95696 1/20 0.68
CCL2 P13500 1/20 0.68
HDAC4 P56524 1/20 0.68
EP300 Q09472 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68

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
SCHEMBL15114804 1.00 BRD4 (0.71) BRD4BRDTADORA3TSPODNER
SCHEMBL12152375 0.94 BRD4 (0.70) BRD4BRDTADORA3TSPODNER
SCHEMBL881272 0.94 BRD4 (0.70) BRD4BRDTADORA3TSPODNER
SCHEMBL24490767 0.93 BRD4 (0.76) BRD4BRDTADORA3TSPODNER
SCHEMBL881277 0.93 BRD4 (0.76) BRD4BRDTADORA3TSPODNER
SCHEMBL23321129 0.89 BRD4 (0.79) BRD4BRDTADORA3TSPODNER
SCHEMBL15181972 0.89 BRD4 (0.78) BRD4BRDTADORA3TSPODNER
SCHEMBL30188484 0.88 BRD4 (0.79) BRD4BRDTADORA3TSPODNER
SCHEMBL21142331 0.87 BRD4 (0.61) BRD4BRDTADORA3TSPODNER
SCHEMBL12186087 0.85 BRD4 (0.59) BRD4BRDTADORA3TSPODNER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20160317547-A1 Male Contraceptive Compositions And Methods Of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 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 (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-20160317547-A1 Male Contraceptive Compositions And Methods Of Use SHBG, CYP19A1, CYP17A1 BRD4 3192/4885BRDT 1771/4885ADORA3 985/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 BRD4 2/4885BRDT 1/4885ADORA3 3692/4885

“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.