SCHEMBL505337

SCHEMBL505337

COC(=O)c1cc(C)cc(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 6/20 0.49
GAA P10253 6/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
CFTR P13569 3/20 0.48
ABL1 P00519 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
NQO2 P16083 2/20 0.43
CYP46A1 Q9Y6A2 1/20 0.41

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
SCHEMBL6118855 0.90 KDM4E (0.55) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL5094601 0.85 KDM4E (0.63) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL6824936 0.85 KDM4E (0.50) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL11071838 0.83 KDM4E (0.49) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL1005804 0.83 GAA (0.51) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL27878114 0.83 KDM4E (0.43) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL6118859 0.83 KDM4E (0.49) KDM4EPOLBALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL9274722 0.81 GAA (0.50) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL3531504 0.81 KDM4E (0.47) KDM4EPOLBALDH1A1GAAHSD17B10
SCHEMBL16939383 0.81 KDM4E (0.47) KDM4EPOLBALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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 (1 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KDM4E 806/4885POLB 517/4885ALDH1A1 95/4885

“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.