SCHEMBL9974035

SCHEMBL9974035

CC[C@@H]1NC(=O)c2ccccc2-c2c(C)noc21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.42
CYP1A2 P05177 1/20 0.39
DRD4 P21917 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9887047 0.85 BRD4 (0.49) BRD4CYP1A2HSD17B10
SCHEMBL16705453 0.82 BRD4 (0.44) BRD4CYP1A2HSD17B10
SCHEMBL9886993 0.82 CYP1A2 (0.46) BRD4CYP1A2HSD17B10
SCHEMBL9974004 0.82 BRD4 (0.42) BRD4
SCHEMBL9932378 0.79 BRD4 (0.56) BRD4CYP1A2HSD17B10
SCHEMBL9282881 0.77 BRD4 (0.41) BRD4
SCHEMBL16694845 0.74 BRD4 (0.43) BRD4
SCHEMBL9974036 0.69 BRD4 (0.50) BRD4
SCHEMBL19574893 0.68 CYP1A2 (0.60) CYP1A2DRD4HSD17B10
SCHEMBL13684801 0.68 CYP1A2 (0.60) CYP1A2DRD4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522920-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-12-18 US disclosed
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885CYP1A2 4557/4885DRD4 4333/4885
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885CYP1A2 4557/4885DRD4 4333/4885

“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.