SCHEMBL580680

SCHEMBL580680

COC(=O)c1ccnc(C(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
KDM4C Q9H3R0 2/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
SMARCA2 P51531 1/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
XDH P47989 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
SCHEMBL28976339 0.87 KDM4E (0.53) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL25341704 0.86 KDM4E (0.51) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL8953772 0.85 KDM4E (0.57) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL25933766 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL5208579 0.83 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL12136063 0.83 PIK3CA (0.53) KDM4CKDM5CJMJD6CA12CA1
SCHEMBL18547226 0.82 KDM4E (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL6918592 0.82 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL23990340 0.81 KDM4E (0.50) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL12136051 0.81 SMARCA2 (0.49) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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 (2 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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA KDM4E 2449/4885KDM4C 2955/4885KDM6B 2100/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 KDM4E 2668/4885KDM4C 1355/4885KDM6B 3249/4885

“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.