SCHEMBL16697140

SCHEMBL16697140

Cc1noc(C)c1-c1cnc2c(-c3ccc(C(=O)O)cc3)cn(Cc3ccccn3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.69
BRD2 P25440 2/20 0.51
S1PR3 Q99500 1/20 0.41
NR3C1 P04150 1/20 0.41
FFAR2 O15552 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRD3 Q15059 1/20 0.39

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
SCHEMBL16697948 0.91 BRD4 (0.57) BRD4BRD2S1PR3NR3C1CYP3A4
SCHEMBL20461401 0.90 BRD4 (0.56) BRD4BRD2S1PR3NR3C1CYP3A4
SCHEMBL16696687 0.90 BRD4 (0.56) BRD4BRD2S1PR3NR3C1CYP3A4
SCHEMBL16696893 0.90 BRD4 (0.60) BRD4BRD2
SCHEMBL16697074 0.90 BRD4 (0.65) BRD4BRD2
SCHEMBL16696974 0.89 BRD4 (0.60) BRD4BRD2CYP3A4CYP2C9BRD3
SCHEMBL16697885 0.89 BRD4 (0.59) BRD4BRD2
SCHEMBL19183777 0.89 BRD4 (0.58) BRD4BRD2
SCHEMBL20461681 0.89 BRD4 (0.59) BRD4BRD2S1PR3NR3C1CYP3A4
SCHEMBL20461555 0.89 BRD4 (0.57) BRD4S1PR3NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970265-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2018-08-08 EP disclosed
EP-2970265-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2018-08-08 EP 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-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 2805/4885S1PR3 3007/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885S1PR3 3007/4885

“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.