SCHEMBL16391060

SCHEMBL16391060

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N[C@@H]4CCN(CCF)C4)cc3)ncc2OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.57
ERBB4 Q15303 2/20 0.57
ERBB2 P04626 1/20 0.57
ERBB3 P21860 1/20 0.57
BTK Q06187 3/20 0.56
JAK3 P52333 3/20 0.56
ITK Q08881 5/20 0.55
JAK2 O60674 2/20 0.53
BLK P51451 2/20 0.53
BMX P51813 2/20 0.53
PLK4 O00444 1/20 0.53
GAK O14976 1/20 0.53
NUAK1 O60285 1/20 0.53
FLT3 P36888 1/20 0.53
CTSC P53634 1/20 0.53
PTK2 Q05397 1/20 0.53
DCLK3 Q9C098 1/20 0.53
NUAK2 Q9H093 1/20 0.53
EML4 Q9HC35 1/20 0.53
EIF2AK4 Q9P2K8 1/20 0.53

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
SCHEMBL16391061 1.00 EGFR (0.57) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16698313 1.00 EGFR (0.57) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16698117 0.93 ITK (0.56) EGFRERBB4BTKJAK3ITK
SCHEMBL16698119 0.93 ITK (0.56) EGFRERBB4BTKJAK3ITK
SCHEMBL16371328 0.91 EGFR (0.65) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16371329 0.91 EGFR (0.65) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16391055 0.91 EGFR (0.65) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16391058 0.89 EGFR (0.67) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16391063 0.89 EGFR (0.67) EGFRERBB4ERBB2ERBB3BTK
SCHEMBL16698236 0.89 EGFR (0.67) EGFRERBB4ERBB2ERBB3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 CN disclosed
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
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
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-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-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
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 US 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 16/4885ERBB4 22/4885ERBB2 10/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885ERBB4 22/4885ERBB2 10/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK EGFR 16/4885ERBB4 22/4885ERBB2 10/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885ERBB4 22/4885ERBB2 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.