SCHEMBL19484607

SCHEMBL19484607

COc1ccccc1-c1nc(N)cc(-c2ccc(=O)n(C)c2)n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.65
BRD4 O60885 6/20 0.46
ADORA1 P30542 4/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 1/20 0.45
ADORA3 P0DMS8 2/20 0.41
DYRK1A Q13627 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL19484524 0.79 CREBBP (1.00) CREBBPBRD4ADORA1ADORA3
SCHEMBL19484522 0.77 CREBBP (1.00) CREBBPBRD4ADORA1ADORA3
SCHEMBL10345022 0.76 HSD17B10 (0.54) ADORA2AADORA3
SCHEMBL19490135 0.75 CREBBP (0.90) CREBBPBRD4ADORA1ADORA3
SCHEMBL15551492 0.69 BRD4 (0.54) CREBBPBRD4ADORA1ADORA2AADORA2B
SCHEMBL19460469 0.68 BRD4 (0.40) CREBBPBRD4ADORA1ADORA2AADORA2B
SCHEMBL7711745 0.68 HSD17B10 (0.54) ADORA2AADORA3ALOX5APFEN1
SCHEMBL3706777 0.67 BRD4 (0.43) CREBBPBRD4ADORA1ADORA2AADORA2B
SCHEMBL27702335 0.67 BACE1 (0.49) ADORA1ALOX5APFEN1
SCHEMBL23066466 0.67 ALDH1A1 (0.61) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 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-20170298040-A1 THERAPEUTIC COMPOUNDS EP300, BRDT, BRPF3 CREBBP 32/4885BRD4 5/4885ADORA1 4466/4885

“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.