SCHEMBL17822331

SCHEMBL17822331

COc1cc(OCCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cnn3ccccc23)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.56
IGF1R P08069 2/20 0.47
INSR P06213 2/20 0.47
KCNH2 Q12809 2/20 0.47
DYRK1A Q13627 1/20 0.45
MLNR O43193 1/20 0.44
KDM1A O60341 1/20 0.44
ABCB11 O95342 1/20 0.44
ERBB2 P04626 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD2 P14416 1/20 0.44
NQO2 P16083 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
ERBB3 P21860 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL30883837 1.00 EGFR (0.56) EGFRIGF1RINSRKCNH2DYRK1A
SCHEMBL30219243 0.90 EGFR (0.57) EGFRIGF1RINSRKCNH2MLNR
SCHEMBL14718868 0.90 EGFR (0.57) EGFRIGF1RINSRKCNH2MLNR
SCHEMBL17831506 0.87 EGFR (0.58) EGFRIGF1RINSRKCNH2DYRK1A
SCHEMBL17384841 0.87 EGFR (0.71) EGFRIGF1RINSRKCNH2
SCHEMBL28634653 0.86 EGFR (0.56) EGFRIGF1RINSRKCNH2MLNR
SCHEMBL14663306 0.85 EGFR (0.54) EGFRIGF1RDYRK1A
SCHEMBL30998030 0.85 EGFR (0.55) EGFRIGF1RINSRKCNH2MLNR
SCHEMBL17822336 0.84 EGFR (0.61) EGFRINSRKCNH2MLNRKDM1A
SCHEMBL30883807 0.84 EGFR (0.61) EGFRINSRKCNH2MLNRKDM1A

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 13 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
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 1/4885IGF1R 224/4885INSR 605/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885IGF1R 224/4885INSR 605/4885
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 EGFR 1/4885IGF1R 224/4885INSR 605/4885
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885IGF1R 224/4885INSR 605/4885

“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.