SCHEMBL17822328

SCHEMBL17822328

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c(C)n(C)c3ccccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.47
MKNK2 Q9HBH9 7/20 0.45
MKNK1 Q9BUB5 4/20 0.45
CCNT1 O60563 1/20 0.41
CDK9 P50750 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
SCHEMBL30883810 1.00 EGFR (0.47) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL30883808 1.00 EGFR (0.47) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL19114738 0.89 EGFR (0.57) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL17384791 0.89 EGFR (0.56) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL18607152 0.86 MKNK2 (0.45) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL17822322 0.85 EGFR (0.51) EGFR
SCHEMBL30883802 0.85 EGFR (0.51) EGFR
SCHEMBL32671769 0.84 MKNK1 (0.65) EGFRMKNK2MKNK1
SCHEMBL17822349 0.84 CCNT1 (0.51) EGFRMKNK2MKNK1CCNT1CDK9
SCHEMBL29555980 0.84 MKNK1 (0.65) EGFRMKNK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457298-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-05-07 CN disclosed
CN-112375067-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-03-15 CN disclosed
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators BETA PHARMA INC. (US) 2022-08-16 US disclosed
CN-112457298-A Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2021-03-09 CN disclosed
CN-112375067-A Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2021-02-19 CN disclosed
CN-108024993-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2020-11-06 CN disclosed
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2020-07-09 US disclosed
US-10590111-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators BETA PHARMA, INC. (US) 2020-03-17 US disclosed
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 US disclosed
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 US disclosed
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 US disclosed
EP-3229798-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS Beta Pharma, Inc. (US) 2017-10-18 EP disclosed
WO-2016094821-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2016-06-16 WO disclosed
WO-2016094821-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2016-06-16 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-10590111-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 1100/4885MKNK1 1174/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 1100/4885MKNK1 1174/4885
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 1100/4885MKNK1 1174/4885
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885MKNK2 1100/4885MKNK1 1174/4885

“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.