SCHEMBL18005502

SCHEMBL18005502

CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PTPN1 P18031 3/20 0.36
PPARD Q03181 2/20 0.36
PPARG P37231 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL18005333 0.87 NOTUM (0.41) NOTUMCTSSCTSKNPC1LMNA
SCHEMBL18005448 0.86 PTPN1 (0.47) NOTUMCTSSCTSKPTPN1NPC1
SCHEMBL18005266 0.86 NOTUM (0.40) NOTUMPTPN1KDM4EHPGDNPSR1
SCHEMBL18005370 0.85 KCNH2 (0.34)
SCHEMBL18005373 0.85 CHKA (0.41) NOTUMPTPN1NPC1KDM4ERAB9A
SCHEMBL18005253 0.85 KDM4E (0.41) NOTUMNPC1LMNAKDM4ERAB9A
SCHEMBL18005486 0.84 KDM5A (0.37) NOTUMCTSSCTSKPTPN1NPC1
SCHEMBL18005598 0.83 IKBKB (0.39) NOTUMPTPN1PPARDPPARGNPC1
SCHEMBL18005822 0.81 NPC1 (0.47) NOTUMNPC1KDM4ERAB9AHPGD
SCHEMBL18005326 0.81 CETP (0.36) NOTUMPTPN1NPC1KDM4ERAB9A

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 1379/4885CTSS 2273/4885CTSK 2390/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NOTUM 1379/4885CTSS 2273/4885CTSK 2390/4885

“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.