SCHEMBL17822336

SCHEMBL17822336

COc1cc(OCCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
MLNR O43193 1/20 0.60
KDM1A O60341 1/20 0.60
ABCB11 O95342 1/20 0.60
ERBB2 P04626 1/20 0.60
INSR P06213 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
DRD2 P14416 1/20 0.60
NQO2 P16083 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
ERBB3 P21860 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADORA2A P29274 1/20 0.60
SLC6A4 P31645 1/20 0.60
CCKAR P32238 1/20 0.60

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
SCHEMBL30883807 1.00 EGFR (0.61) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL19337211 0.92 MKNK1 (0.61) EGFRMKNK1MKNK2
SCHEMBL30883836 0.91 EGFR (0.56) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17822334 0.91 EGFR (0.56) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL28952905 0.91 EGFR (0.55) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL17822320 0.91 MKNK1 (0.68) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL30883869 0.91 MKNK1 (0.68) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL14661172 0.89 EGFR (0.71) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL29974303 0.89 EGFR (0.71) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL29524425 0.89 EGFR (0.71) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
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-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
CN-113121575-A (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-07-16 CN 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-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 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-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3229798-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS Beta Pharma, Inc. (US) 2017-10-18 EP disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
CN-106458969-A (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2017-02-22 CN 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 (7 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-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD EGFR 1/4885MLNR 1080/4885KDM1A 3440/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 EGFR 1/4885MLNR 714/4885KDM1A 4187/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 120/4885KDM1A 3321/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885MLNR 1233/4885KDM1A 3655/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD EGFR 1/4885MLNR 1080/4885KDM1A 3440/4885
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.