SCHEMBL18005356

SCHEMBL18005356

N#Cc1[nH]nnc1-c1nc(-c2cccc(F)c2)oc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 2/20 0.37
GUSB P08236 1/20 0.36
GRM5 P41594 1/20 0.35
TNKS O95271 3/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
PRCP P42785 2/20 0.34
HPN P05981 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CHEK1 O14757 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CHUK O15111 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL16399641 0.88 GRM5 (0.43) NOTUMGUSBGRM5ADORA2AADORA2B
SCHEMBL18005276 0.87 PRCP (0.42) ADORA2AADORA1PRCPNPC1RAB9A
SCHEMBL16399129 0.87 NOTUM (0.40) L3MBTL1NOTUMNPC1RAB9AKDM4E
SCHEMBL18005351 0.86 KDM1A (0.33) GRM5PRCPCHEK1KDM4EGAA
SCHEMBL18005221 0.86 KDM4E (0.42) L3MBTL1NOTUMADORA2AADORA2BADORA1
SCHEMBL18005302 0.84 USP7 (0.42) GRM5ADORA2AADORA1NPC1RAB9A
SCHEMBL18005355 0.84 NOTUM (0.34) NOTUMGRM5PRCPNPC1RAB9A
SCHEMBL18005366 0.84 ALOX15 (0.40) NOTUMGUSBGRM5ADORA2AADORA2B
SCHEMBL18005492 0.84 NOTUM (0.35) NOTUM
SCHEMBL18005363 0.84 ALOX15 (0.40) NOTUMGUSBGRM5ADORA2AADORA2B

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 L3MBTL1 1503/4885NOTUM 1379/4885GUSB 2770/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 L3MBTL1 1503/4885NOTUM 1379/4885GUSB 2770/4885

“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.