SCHEMBL9934406

SCHEMBL9934406

[O]Cc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 3/20 0.48
IDO1 P14902 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
YTHDC1 Q96MU7 1/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
PRMT5 O14744 1/20 0.43

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
SCHEMBL16182225 0.83 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL960151 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL960630 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL730574 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL702375 0.79 PRMT5 (0.61) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL2227955 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL3061437 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL254885 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29562338 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL18901282 0.79 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010159-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE AND MUTANT EGFR PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-01-10 US claimed
EP-3398950-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR Precedo Pharmaceuticals Co., Ltd. (CN) 2018-11-07 EP claimed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
EP-3398950-B1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR PRECEDO PHARMACEUTICALS CO LTD (CN) 2021-08-11 EP disclosed
CN-106928231-B Novel EGFR wild type and mutant kinase inhibitors 合肥中科普瑞昇生物医药科技有限公司 2021-06-01 CN disclosed
US-10781214-B2 Kinase inhibitor against wild-type and mutant EGFR PRECEDO PHARMACEUTICALS CO., LTD. (CN) 2020-09-22 US disclosed
US-20190010159-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE AND MUTANT EGFR PRECEDO PHARMACEUTICALS CO., LTD (CN) 2019-01-10 US disclosed
EP-3398950-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE EGFR AND MUTATED EGFR Precedo Pharmaceuticals Co., Ltd. (CN) 2018-11-07 EP disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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 (9 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-20190010159-A1 NOVEL KINASE INHIBITOR AGAINST WILD-TYPE AND MUTANT EGFR EGFR, ERBB2, ERBB3 KDM4E 4090/4885GAA 2171/4885PDPK1 330/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 KDM4E 2196/4885GAA 4544/4885PDPK1 2226/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 KDM4E 3664/4885GAA 3935/4885PDPK1 2113/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 KDM4E 3664/4885GAA 3935/4885PDPK1 2113/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KDM4E 2989/4885GAA 4227/4885PDPK1 2860/4885
US-10781214-B2 Kinase inhibitor against wild-type and mutant EGFR EGFR, ERBB2, ERBB3 KDM4E 4059/4885GAA 1664/4885PDPK1 347/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KDM4E 2641/4885GAA 4168/4885PDPK1 2225/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KDM4E 2811/4885GAA 3745/4885PDPK1 2039/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KDM4E 2927/4885GAA 4233/4885PDPK1 2660/4885

“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.