SCHEMBL16371085

SCHEMBL16371085

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(NC4CCN(C(C)=O)C4)cc3)ncc2OC)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.61
BTK Q06187 2/20 0.59
JAK3 P52333 2/20 0.59
ITK Q08881 5/20 0.57
CCNK O75909 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
ERBB2 P04626 1/20 0.54
ERBB3 P21860 1/20 0.54
ERBB4 Q15303 1/20 0.54
JAK2 O60674 1/20 0.54
BLK P51451 1/20 0.54
BMX P51813 1/20 0.54

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
SCHEMBL16371083 1.00 EGFR (0.61) EGFRBTKJAK3ITKCCNK
SCHEMBL21338051 0.89 ITK (0.68) EGFRBTKJAK3ITK
SCHEMBL16391060 0.87 EGFR (0.57) EGFRBTKJAK3ITKERBB2
SCHEMBL16698119 0.87 ITK (0.56) EGFRBTKJAK3ITKERBB4
SCHEMBL16391139 0.87 EGFR (0.56) EGFRBTKJAK3ITKERBB4
SCHEMBL16370719 0.87 EGFR (0.56) EGFRBTKJAK3ITKERBB4
SCHEMBL16698313 0.87 EGFR (0.57) EGFRBTKJAK3ITKERBB2
SCHEMBL16698117 0.87 ITK (0.56) EGFRBTKJAK3ITKERBB4
SCHEMBL16370720 0.87 EGFR (0.56) EGFRBTKJAK3ITKERBB4
SCHEMBL16391061 0.87 EGFR (0.57) EGFRBTKJAK3ITKERBB2

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-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
EP-3019496-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Biosciences, Inc. (US) 2016-05-18 EP disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 US disclosed
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 WO 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 (4 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-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885BTK 3/4885JAK3 30/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885BTK 3/4885JAK3 30/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK EGFR 16/4885BTK 3/4885JAK3 30/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885BTK 3/4885JAK3 30/4885

“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.