SCHEMBL17833802

SCHEMBL17833802

COc1cc(-c2c(C)noc2C)ccc1-c1nc2ccccn2c1NC(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.78
CREBBP Q92793 6/20 0.55
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
ADRA1B P35368 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL16416688 0.88 BRD4 (1.00) BRD4CREBBPGAAMAPTKDM4E
SCHEMBL17833800 0.87 BRD4 (0.78) BRD4CREBBP
SCHEMBL17833799 0.84 BRD4 (0.74) BRD4CREBBP
SCHEMBL17833792 0.75 BRD4 (0.79) BRD4BRD2
SCHEMBL16424674 0.75 BRD4 (1.00) BRD4CREBBPGAA
SCHEMBL19831721 0.74 BRD4 (0.76) BRD4CREBBPGAAMAPTKDM4E
SCHEMBL16416672 0.72 BRD4 (1.00) BRD4CREBBPGAAMAPTKDM4E
SCHEMBL20286076 0.71 BRD4 (0.52) BRD4GAAMAPTKDM4EALDH1A1
SCHEMBL1969449 0.71 TUBB4A (0.71) BRD4GAAMAPTKDM4EALDH1A1
SCHEMBL16415789 0.71 BRD4 (1.00) BRD4GAAMAPT

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-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9975896-B2 Inhibitors of transcription factors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-22 US disclosed
US-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-16 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-20160168154-A1 INHIBITORS OF TRANSCRIPTION FACTORS AND USES THEREOF BRD4, BRPF3, EP300 BRD4 1/4885CREBBP 11/4885GAA 1226/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC BRD4 205/4885CREBBP 18/4885GAA 2178/4885

“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.