SCHEMBL18005276

SCHEMBL18005276

N#Cc1[nH]nnc1-c1nc(-c2ccc(F)cc2)oc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.42
RCE1 Q9Y256 1/20 0.39
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CHRNA7 P36544 2/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL18005487 0.89 ALDH1A1 (0.39) PRCPKDM4EALDH1A1HPGDCYP1A2
SCHEMBL18005325 0.89 NPC1 (0.40) PRCPKDM4EALDH1A1HPGDALOX15
SCHEMBL18005351 0.88 KDM1A (0.33) PRCPKDM4EALDH1A1HPGDGAA
SCHEMBL18005326 0.88 CETP (0.36) PRCPKDM4EALDH1A1HPGDCYP1A2
SCHEMBL18005356 0.87 L3MBTL1 (0.40) PRCPKDM4ENPC1RAB9AGAA
SCHEMBL18005215 0.87 NOTUM (0.36) PRCPKDM4EALDH1A1HPGDNPSR1
SCHEMBL18005491 0.86 NOTUM (0.36) PRCPKDM4EALDH1A1HPGDNPSR1
SCHEMBL18005355 0.85 NOTUM (0.34) PRCPKDM4EALDH1A1HPGDNPC1
SCHEMBL18005291 0.85 GRM5 (0.43) PRCPKDM4EALDH1A1ALOX15RAB9A
SCHEMBL18005272 0.85 NOTUM (0.39) KDM4EALDH1A1HPGDNPSR1RAB9A

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 PRCP 1705/4885RCE1 3895/4885KDM4E 2681/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PRCP 1705/4885RCE1 3895/4885KDM4E 2681/4885

“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.