SCHEMBL18005334

SCHEMBL18005334

Cc1oc(-c2ccc(F)c(Cl)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.37
GRM5 P41594 1/20 0.36
MET P08581 2/20 0.35
MDM2 Q00987 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NOTUM Q6P988 1/20 0.33
TGFBR1 P36897 3/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
PGR P06401 4/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL18005580 0.90 ALOX15 (0.46) ALOX15NOTUMKDM4ENPC1ALDH1A1
SCHEMBL18005255 0.87 MAPK14 (0.36) ALOX15GRM5METADORA2AADORA1
SCHEMBL18005399 0.87 ALOX15 (0.35) ALOX15GRM5METMDM2ADORA2A
SCHEMBL18005495 0.86 ALOX15 (0.35) ALOX15GRM5METMDM2ADORA2A
SCHEMBL16398311 0.86 KDM4E (0.43) ALOX15NOTUMKDM4ENPC1ALDH1A1
SCHEMBL18005324 0.85 ALOX15 (0.34) ALOX15GRM5METADORA2AADORA1
SCHEMBL18005330 0.85 MET (0.35) ALOX15GRM5METADORA2AADORA1
SCHEMBL18005444 0.84 ALOX15 (0.47) ALOX15ADORA2AADORA1NOTUMKDM4E
SCHEMBL18005500 0.84 GRM5 (0.36) ALOX15GRM5METADORA2AADORA1
SCHEMBL18005400 0.84 ALOX15 (0.43) ALOX15NOTUMKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ALOX15 2623/4885GRM5 1425/4885MET 1844/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALOX15 2623/4885GRM5 1425/4885MET 1844/4885

“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.