SCHEMBL18005355

SCHEMBL18005355

Cc1cc(-c2nc(-c3nn[nH]c3C#N)c(C3CC3)o2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 4/20 0.33
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC9A1 P19634 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM5 P41594 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TGFBR1 P36897 2/20 0.32
LMNA P02545 1/20 0.32
RPS6KB1 P23443 6/20 0.32
AKT1 P31749 6/20 0.32
PRCP P42785 1/20 0.31
GSK3B P49841 1/20 0.31
MAPK14 Q16539 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
SCHEMBL18005351 0.91 KDM1A (0.33) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL18005291 0.88 GRM5 (0.43) KDM4EALDH1A1SMN1; SMN2GRM5RAB9A
SCHEMBL18005576 0.87 KDM1A (0.32) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL18005300 0.86 ALOX15 (0.34) NOTUMKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL18005276 0.85 PRCP (0.42) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL18005325 0.85 NPC1 (0.40) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL18005397 0.84 GRM5 (0.40) KDM4EALDH1A1SMN1; SMN2GRM5RAB9A
SCHEMBL18005574 0.84 GRM5 (0.40) KDM4EALDH1A1SMN1; SMN2GRM5RAB9A
SCHEMBL18005356 0.84 L3MBTL1 (0.40) NOTUMKDM4EGAAGRM5NPC1
SCHEMBL18005328 0.83 MDM2 (0.41) KDM4EALDH1A1SMN1; SMN2GRM5RAB9A

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 NOTUM 1379/4885KDM4E 2681/4885GAA 343/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885KDM4E 2681/4885GAA 343/4885

“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.