SCHEMBL18386752

SCHEMBL18386752

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2c(=O)[nH]c3ccccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
KDR P35968 2/20 0.39
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
MKNK2 Q9HBH9 3/20 0.36
MKNK1 Q9BUB5 2/20 0.36
FLT3 P36888 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35

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
SCHEMBL20162198 0.91 OPRK1 (0.36) EGFRKDROPRK1OPRM1MKNK1
SCHEMBL30011674 0.91 OPRK1 (0.36) EGFRKDROPRK1OPRM1MKNK1
SCHEMBL18386904 0.91 KDR (0.40) EGFRKDRCCNT1CDK9GABRP
SCHEMBL18386897 0.90 KDR (0.40) EGFRKDRMKNK1
SCHEMBL18387042 0.85 EGFR (0.49) EGFRKDROPRM1
SCHEMBL18387037 0.85 EGFR (0.39) EGFRKDRMKNK2MKNK1CCNT1
SCHEMBL30010922 0.85 EGFR (0.42) EGFRKDROPRK1OPRM1MKNK2
SCHEMBL18386955 0.85 EGFR (0.42) EGFRKDROPRK1OPRM1MKNK2
SCHEMBL20162222 0.84 KDR (0.36) EGFRKDRMKNK1
SCHEMBL30010761 0.84 KDR (0.36) EGFRKDRMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 EP disclosed
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof BEBETTER MED INC. (CN) 2022-03-08 US disclosed
US-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-10-22 US disclosed
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-05-28 US disclosed
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 EP 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-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
WO-2017008761-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF 正大天晴药业集团股份有限公司 2017-01-19 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 (6 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-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885KDR 51/4885OPRK1 2567/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885KDR 51/4885OPRK1 2567/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS EGFR 1/4885KDR 51/4885OPRK1 2567/4885
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 44/4885OPRK1 2572/4885
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity EGFR, ERBB2, ERBB3 EGFR 1/4885KDR 12/4885OPRK1 1049/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885KDR 39/4885OPRK1 4154/4885

“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.