SCHEMBL18005373

SCHEMBL18005373

N#Cc1[nH]nnc1-c1nc(-c2ccc(C(F)(F)F)cc2)oc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 7/20 0.41
NOTUM Q6P988 1/20 0.39
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIF11 P52732 1/20 0.36
PTPN1 P18031 2/20 0.36
IKBKB O14920 1/20 0.36
GSK3B P49841 1/20 0.36
GSR P00390 1/20 0.36
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL18005448 0.87 PTPN1 (0.47) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005598 0.86 IKBKB (0.39) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005502 0.85 NOTUM (0.37) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005486 0.85 KDM5A (0.37) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005822 0.84 NPC1 (0.47) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005326 0.83 CETP (0.36) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005488 0.79 NOTUM (0.41) NOTUMNPC1KDM4EALDH1A1HSD17B10
SCHEMBL1250478 0.79 KIF11 (0.50) NOTUMKIF11GSR
SCHEMBL18005505 0.79 S1PR1 (0.37) NOTUMNPC1KDM4EALDH1A1CYP1A2
SCHEMBL18005360 0.78 KDM4E (0.41) NOTUMNPC1KDM4EALDH1A1CYP1A2

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 CHKA 754/4885NOTUM 1379/4885NPC1 1062/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CHKA 754/4885NOTUM 1379/4885NPC1 1062/4885

“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.