SCHEMBL505359

SCHEMBL505359

O=C(O)c1cccc2nc(-c3cccc4ccccc34)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GUSB P08236 2/20 0.46
PARP1 P09874 1/20 0.46
CDC25B P30305 1/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
POLB P06746 1/20 0.44
PBRM1 Q86U86 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
SCHEMBL6840296 0.83 RAB9A (0.56) KDM4ERAB9AALDH1A1PARP1POLB
SCHEMBL6840297 0.83 KDM4E (0.56) KDM4ERAB9AKMT2AALDH1A1GUSB
SCHEMBL696548 0.81 DHODH (0.56) KDM4ERAB9AKMT2AHPGDALDH1A1
SCHEMBL29539959 0.80 GUSB (0.57) KDM4ERAB9AMEN1KMT2AHPGD
SCHEMBL23809723 0.78 KDM4E (0.49) KDM4ERAB9AHPGDALDH1A1GUSB
SCHEMBL536112 0.77 KDM4E (0.49) KDM4ERAB9AHPGDALDH1A1POLB
SCHEMBL5201406 0.77 HPGD (0.55) KDM4ERAB9AMEN1KMT2AHPGD
SCHEMBL506154 0.76 DHODH (0.67) KDM4ERAB9AACMSD
SCHEMBL4920662 0.76 FGFR1 (0.60) KDM4ERAB9AHPGDALDH1A1PBRM1
SCHEMBL28135155 0.76 GUSB (0.69) KDM4ERAB9AHPGDALDH1A1GUSB

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 10 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
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 806/4885RAB9A 1436/4885MEN1 1133/4885

“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.