SCHEMBL13329893

SCHEMBL13329893

Cc1cn(C)c(=O)c2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.59
BRD9 Q9H8M2 5/20 0.55
CECR2 Q9BXF3 4/20 0.49
TAF1 P21675 3/20 0.49
BRPF1 P55201 2/20 0.49
CREBBP Q92793 2/20 0.49
TRIM24 O15164 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
EP300 Q09472 1/20 0.46
PBRM1 Q86U86 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46

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
SCHEMBL22729754 0.85 BRD4 (0.51) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL19871750 0.81 BRD4 (0.55) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL22516602 0.80 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL22600098 0.80 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL15069208 0.80 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL24556455 0.79 BRD4 (0.56) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL21445298 0.77 BRD4 (0.55) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL20385458 0.77 BRD9 (0.48) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL24866050 0.77 BRD4 (0.76) BRD4BRD9CECR2TAF1
SCHEMBL31590544 0.77 BRD4 (0.65) BRD4BRD9CECR2TAF1BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043319-A1 ANTIBODY-DRUG COMPLEX エーザイ・アール・アンド・ディー・マネジメント株式会社 2024-02-29 WO disclosed
WO-2020219168-A1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE, LLC (US) 2020-10-29 WO disclosed
WO-2020055976-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2020-03-19 WO disclosed
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2020-01-30 WO disclosed
WO-2020007322-A1 COMPOUND TARGETED TO DEGRADE BET PROTEIN AND APPLICATION THEREOF 清华大学 2020-01-09 WO disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (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-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 BRD4 541/4885BRD9 1004/4885CECR2 4262/4885

“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.