SCHEMBL18586191

SCHEMBL18586191

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ccc3ccccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
PTK2 Q05397 2/20 0.42
MKNK1 Q9BUB5 3/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MAPK10 P53779 1/20 0.42
EGFR P00533 7/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CDK2 P24941 2/20 0.40
JUN P05412 1/20 0.40
CDC7 O00311 2/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL30930115 1.00 KDR (0.43) KDRPTK2MKNK1MAPK8MAPK9
SCHEMBL19089534 0.90 CDC7 (0.44) KDRPTK2EGFRCCNT1CDK9
SCHEMBL35210303 0.90 CDC7 (0.44) KDRPTK2EGFRCCNT1CDK9
SCHEMBL19337070 0.90 EGFR (0.43) KDRPTK2MKNK1MKNK2EGFR
SCHEMBL19089467 0.90 KDR (0.44) KDRPTK2MAPK8MAPK9MAPK10
SCHEMBL30869112 0.89 BRAF (0.45) KDRPTK2EGFRCCNT1CDK9
SCHEMBL19714696 0.89 BRAF (0.45) KDRPTK2EGFRCCNT1CDK9
SCHEMBL19337104 0.85 EGFR (0.54) KDRMKNK1MKNK2EGFRCCNT1
SCHEMBL30467909 0.85 EGFR (0.54) KDRMKNK1MKNK2EGFRCCNT1
SCHEMBL17683109 0.85 KDR (0.54) KDRPTK2MKNK1MAPK8MAPK9

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
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
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-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 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
EP-3345900-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2018-07-11 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
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
CN-106117185-B 2,4 2 nitrogen-containing group substituted uracil compounds and its preparation method and application 广州必贝特医药技术有限公司 2017-11-07 CN 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-2017036263-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 广州科擎新药开发有限公司 2017-03-09 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 (8 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 KDR 51/4885PTK2 2469/4885MKNK1 4288/4885
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD KDR 41/4885PTK2 2453/4885MKNK1 4632/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD KDR 41/4885PTK2 2453/4885MKNK1 4632/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS KDR 51/4885PTK2 2469/4885MKNK1 4288/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS KDR 51/4885PTK2 2469/4885MKNK1 4288/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 KDR 29/4885PTK2 3126/4885MKNK1 4794/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD KDR 39/4885PTK2 2581/4885MKNK1 4609/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD KDR 41/4885PTK2 2453/4885MKNK1 4632/4885

“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.