SCHEMBL16391059

SCHEMBL16391059

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N[C@H]4CCN(CCF)C4)cc3)ncc2F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.63
ITK Q08881 6/20 0.63
BTK Q06187 8/20 0.61
JAK3 P52333 2/20 0.61
ERBB2 P04626 1/20 0.59
ERBB3 P21860 1/20 0.59
ERBB4 Q15303 1/20 0.59
JAK2 O60674 1/20 0.57
LYN P07948 1/20 0.57
TEC P42680 1/20 0.57
TXK P42681 1/20 0.57
BMX P51813 1/20 0.57
CD69 Q07108 1/20 0.57

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
SCHEMBL16391064 1.00 EGFR (0.63) EGFRITKBTKJAK3ERBB2
SCHEMBL16697962 1.00 EGFR (0.63) EGFRITKBTKJAK3ERBB2
SCHEMBL21338074 0.92 EGFR (0.52) EGFRITKBTKJAK3ERBB2
SCHEMBL16391063 0.90 EGFR (0.67) EGFRITKBTKJAK3ERBB2
SCHEMBL16698236 0.90 EGFR (0.67) EGFRITKBTKJAK3ERBB2
SCHEMBL16391058 0.90 EGFR (0.67) EGFRITKBTKJAK3ERBB2
SCHEMBL16391055 0.88 EGFR (0.65) EGFRITKBTKJAK3ERBB2
SCHEMBL16371328 0.88 EGFR (0.65) EGFRITKBTKJAK3ERBB2
SCHEMBL16371329 0.88 EGFR (0.65) EGFRITKBTKJAK3ERBB2
SCHEMBL16391083 0.86 EGFR (0.78) EGFRITKBTKJAK3JAK2

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 15 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
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-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 (3 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 16/4885ITK 4/4885BTK 3/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK EGFR 16/4885ITK 4/4885BTK 3/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK EGFR 16/4885ITK 4/4885BTK 3/4885

“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.