SCHEMBL9974036

SCHEMBL9974036

CC[C@@H]1N=C(Cl)c2ccccc2-c2c(C)noc21

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.50

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
SCHEMBL9974037 0.82 BRD4 (0.73) BRD4
SCHEMBL9974005 0.81 BRD4 (0.48) BRD4
SCHEMBL9281955 0.80 BRD4 (0.59) BRD4
SCHEMBL9278515 0.77 BRD4 (0.47) BRD4
SCHEMBL9974038 0.70 BRD4 (0.74) BRD4
SCHEMBL9974035 0.69 BRD4 (0.42) BRD4
SCHEMBL9282455 0.68 BRD4 (0.83) BRD4
SCHEMBL15925864 0.68 BRD4 (0.83) BRD4
SCHEMBL9974032 0.68 BRD4 (0.70) BRD4
SCHEMBL9974034 0.68 BRD4 (0.78) BRD4

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 1/4885
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885

“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.