SCHEMBL16697200

SCHEMBL16697200

Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3)cn(Cc3ncccc3F)c2c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.61
BRD2 P25440 2/20 0.46
BRD3 Q15059 1/20 0.38
GRIN2B Q13224 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL16696830 0.91 BRD4 (0.51) BRD4BRD2GRIN2B
SCHEMBL16696546 0.89 BRD4 (0.61) BRD4BRD2BRD3PTGDR2
SCHEMBL16697140 0.86 BRD4 (0.69) BRD4BRD2BRD3
SCHEMBL16697074 0.86 BRD4 (0.65) BRD4BRD2
SCHEMBL16696893 0.85 BRD4 (0.60) BRD4BRD2GRIN2B
SCHEMBL16697527 0.84 BRD4 (0.61) BRD4BRD2
SCHEMBL16697571 0.84 BRD4 (0.57) BRD4BRD2PTGDR2
SCHEMBL16696809 0.82 BRD4 (0.52) BRD4
SCHEMBL16697885 0.82 BRD4 (0.59) BRD4BRD2PTGDR2
SCHEMBL16697058 0.82 BRD4 (0.60) BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 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-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885BRD3 2759/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885BRD3 2759/4885

“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.