SCHEMBL16697141

SCHEMBL16697141

Cc1noc(C)c1-c1cnc2c(I)cn(Cc3ccccn3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.60
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 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
SCHEMBL16697541 0.88 BRD4 (0.53) BRD4GRIN1GRIN2B
SCHEMBL20461438 0.88 BRD4 (0.60) BRD4CYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL16697167 0.88 BRD4 (0.59) BRD4
SCHEMBL16696743 0.87 BRD4 (0.54) BRD4
SCHEMBL16697748 0.87 BRD4 (0.60) BRD4
SCHEMBL29914074 0.87 BRD4 (0.60) BRD4
SCHEMBL18670415 0.85 BRD4 (0.55) BRD4
SCHEMBL16696974 0.85 BRD4 (0.60) BRD4CYP2C9GRIN1GRIN2B
SCHEMBL16697160 0.85 BRD4 (0.52) BRD4
SCHEMBL20461543 0.84 BRD4 (0.58) BRD4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353179-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Plexxikon Inc. (US) 2018-08-01 EP claimed
WO-2017053243-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-03-30 WO claimed
US-20170081326-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2017-03-23 US claimed
US-12116365-B2 Heterocyclic compounds and uses thereof Opna Bio SA (CH) 2024-10-15 US disclosed
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2022-11-10 US disclosed
EP-4071149-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Immuno Oncology, SA (CH) 2022-10-12 EP disclosed
EP-3353179-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2022-02-09 EP disclosed
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
EP-3353179-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Plexxikon Inc. (US) 2018-08-01 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
WO-2017053243-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-03-30 WO 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 (5 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-12116365-B2 Heterocyclic compounds and uses thereof CYP11B2, CYP11B1, UGT2B7 BRD4 1363/4885CYP1A2 18/4885CYP2C9 10/4885
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885CYP1A2 18/4885CYP2C9 10/4885
US-20170081326-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, UGT2B7 BRD4 1363/4885CYP1A2 18/4885CYP2C9 10/4885
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, UGT2B7 BRD4 1363/4885CYP1A2 18/4885CYP2C9 10/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885CYP1A2 18/4885CYP2C9 10/4885

“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.