SCHEMBL17822335

SCHEMBL17822335

C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80
MLNR O43193 1/20 0.79
KDM1A O60341 1/20 0.79
ABCB11 O95342 1/20 0.79
ERBB2 P04626 1/20 0.79
INSR P06213 1/20 0.79
CHRM2 P08172 1/20 0.79
HTR1A P08908 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
DRD2 P14416 1/20 0.79
NQO2 P16083 1/20 0.79
ADRA2C P18825 1/20 0.79
DRD1 P21728 1/20 0.79
ERBB3 P21860 1/20 0.79
SLC6A2 P23975 1/20 0.79
HTR2A P28223 1/20 0.79
HTR2C P28335 1/20 0.79
ADORA2A P29274 1/20 0.79
SLC6A4 P31645 1/20 0.79
CCKAR P32238 1/20 0.79

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
SCHEMBL30883813 1.00 EGFR (0.80) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL26457553 0.94 EGFR (0.77) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19336992 0.94 EGFR (0.73) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL23480106 0.94 EGFR (0.85) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL23480108 0.94 EGFR (0.80) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19732108 0.93 EGFR (0.72) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL28626638 0.93 EGFR (0.75) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17831542 0.93 EGFR (0.75) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17831538 0.92 EGFR (0.78) EGFRMLNRKDM1AABCB11ERBB2
Rezivertinib SCHEMBL29462581 0.92 EGFR (0.82) EGFRMLNRKDM1AABCB11ERBB2

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
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
US-11052086-B2 2-anilinopyrimidine derivatives as therapeutic agents for treatment of brain cancers BETA PHARMA, INC. (US) 2021-07-06 US disclosed
WO-2021111462-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF OSIMERTINIB MESYLATE NATCO PHARMA LIMITED (IN) 2021-06-10 WO disclosed
WO-2021061695-A1 TREATMENT OF EGFR MUTANT-RELATED CANCERS USING A COMBINATION OF EGFR AND CDK4/6 INHIBITORS BETA PHARMA, INC. (US) 2021-04-01 WO 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-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-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
WO-2017197062-A1 2-ANILINOPYRIMIDINE DERIVATIVES AS THERAPEUTIC AGENTS FOR TREATMENT OF BRAIN CANCERS BETA PHARMA, INC. (US) 2017-11-16 WO 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 (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-10590111-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 120/4885KDM1A 3321/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 120/4885KDM1A 3321/4885
US-11052086-B2 2-anilinopyrimidine derivatives as therapeutic agents for treatment of brain cancers EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 376/4885KDM1A 3977/4885
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 120/4885KDM1A 3321/4885
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 120/4885KDM1A 3321/4885

“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.