SCHEMBL17822326

SCHEMBL17822326

COc1cc(OCCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2nn(C)c3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CDK9 P50750 2/20 0.46
EGFR P00533 18/20 0.45
MLNR O43193 1/20 0.45
KDM1A O60341 1/20 0.45
ABCB11 O95342 1/20 0.45
ERBB2 P04626 1/20 0.45
INSR P06213 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
DRD2 P14416 1/20 0.45
NQO2 P16083 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
ERBB3 P21860 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL30883844 1.00 CCNT1 (0.46) CCNT1CDK1CCNB1CDK9EGFR
SCHEMBL19336967 0.89 EGFR (0.54) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL29848485 0.87 CCNT1 (0.48) CCNT1CDK1CCNB1CDK9EGFR
SCHEMBL17822330 0.87 CCNT1 (0.48) CCNT1CDK1CCNB1CDK9EGFR
SCHEMBL17822336 0.86 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL30883807 0.86 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17822322 0.86 EGFR (0.51) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL30883802 0.86 EGFR (0.51) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17822349 0.85 CCNT1 (0.51) CCNT1CDK1CCNB1CDK9EGFR
SCHEMBL30883834 0.85 CCNT1 (0.51) CCNT1CDK1CCNB1CDK9EGFR

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 CCNT1 1877/4885CDK1 498/4885CCNB1 1537/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 CCNT1 1877/4885CDK1 498/4885CCNB1 1537/4885
US-11414401-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 CCNT1 1877/4885CDK1 498/4885CCNB1 1537/4885
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 CCNT1 1877/4885CDK1 498/4885CCNB1 1537/4885

“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.