SCHEMBL21186739

SCHEMBL21186739

Cc1c(O)c(Cl)cc(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.42
TSHR P16473 6/20 0.42
HPGD P15428 6/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HIF1A Q16665 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX12 P18054 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 4/20 0.40
RECQL P46063 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TTR P02766 3/20 0.40
CASP1 P29466 2/20 0.40
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 3/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL20621268 0.84 HSD17B10 (0.41) HSD17B10TSHRHPGDMAPK1ALOX15
SCHEMBL11038432 0.82 HSD17B10 (0.52) HSD17B10TSHRHPGDMAPK1ALOX15
SCHEMBL22989874 0.82 CYP3A4 (0.35) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL25828290 0.77 HSD17B10 (0.48) HSD17B10TSHRHPGDMAPK1ALOX15
SCHEMBL24161818 0.77 CYP3A4 (0.32) MAPK1CYP3A4
SCHEMBL14753956 0.76 POLB (0.38) HSD17B10HPGDMAPK1SMN1; SMN2CYP2C19
SCHEMBL23491119 0.76 AR (0.35) HPGDSMN1; SMN2ALDH1A1TTRESR1
SCHEMBL13997274 0.75 HSD17B10 (0.59) HSD17B10TSHRHPGDMAPK1ALOX15
SCHEMBL11713810 0.75 HSD17B10 (0.59) HSD17B10TSHRHPGDMAPK1ALOX15
SCHEMBL21186738 0.71 ALDH1A1 (0.40) TSHRCYP3A4ALDH1A1MAPTADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842433-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
EP-3741756-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-09-27 US disclosed
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 EP disclosed
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
EP-3842433-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2021-06-30 EP disclosed
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor MEDSHINE DISCOVERY INC (CN) 2021-05-20 US disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021027943-A1 PYRIMIDINOPYRIDAZINONE DERIVATIVE AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-02-18 WO disclosed
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 WO disclosed
EP-3741756-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2020-11-25 EP disclosed
WO-2019141250-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR 南京明德新药研发股份有限公司 2019-07-25 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-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 HSD17B10 2306/4885TSHR 4093/4885HPGD 1429/4885
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor KRAS, NRAS, MSH2 HSD17B10 3330/4885TSHR 4483/4885HPGD 678/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 HSD17B10 2306/4885TSHR 4093/4885HPGD 1429/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS HSD17B10 3734/4885TSHR 3970/4885HPGD 2741/4885
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 HSD17B10 3795/4885TSHR 4157/4885HPGD 1086/4885
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor KRAS, NRAS, MSH2 HSD17B10 3330/4885TSHR 4483/4885HPGD 678/4885
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR KRAS, NRAS, MSH2 HSD17B10 3330/4885TSHR 4483/4885HPGD 678/4885

“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.