SCHEMBL18005495

SCHEMBL18005495

CC(C)(C)c1oc(-c2ccc(F)c(Cl)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
GRM5 P41594 1/20 0.34
MET P08581 2/20 0.34
NOTUM Q6P988 1/20 0.33
TGFBR1 P36897 6/20 0.33
TGFBR2 P37173 4/20 0.33
MDM2 Q00987 3/20 0.32
CNR2 P34972 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL18005446 0.91 ESR1 (0.32) MET
SCHEMBL18005360 0.87 KDM4E (0.41) ALOX15NOTUMCNR2
SCHEMBL18005334 0.86 ALOX15 (0.37) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005255 0.84 MAPK14 (0.36) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005399 0.84 ALOX15 (0.35) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005500 0.84 GRM5 (0.36) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005324 0.83 ALOX15 (0.34) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005330 0.82 MET (0.35) ALOX15GRM5METNOTUMTGFBR1
SCHEMBL18005291 0.81 GRM5 (0.43) ALOX15GRM5METTGFBR1TGFBR2
SCHEMBL18005488 0.80 NOTUM (0.41) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.