SCHEMBL18005448

SCHEMBL18005448

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.47
NOTUM Q6P988 1/20 0.39
CETP P11597 3/20 0.37
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL18005373 0.87 CHKA (0.41) PTPN1NOTUMCETPKDM4ENPSR1
SCHEMBL18005400 0.87 ALOX15 (0.43) NOTUMKDM4ENPSR1NPC1HPGD
SCHEMBL18005441 0.87 MAPT (0.46) PTPN1NOTUMKDM4ENPC1LMNA
SCHEMBL26070287 0.87 NPC1 (0.39) NOTUMKDM4ENPC1LMNAHPGD
SCHEMBL18005502 0.86 NOTUM (0.37) PTPN1NOTUMCETPKDM4ENPSR1
SCHEMBL18005486 0.86 KDM5A (0.37) PTPN1NOTUMCETPKDM4ENPSR1
SCHEMBL18005364 0.85 NPSR1 (0.45) PTPN1NOTUMNPSR1L3MBTL1POLB
SCHEMBL18005598 0.85 IKBKB (0.39) PTPN1NOTUMCETPKDM4ENPSR1
SCHEMBL18005551 0.84 PTPN1 (0.35) PTPN1
SCHEMBL16398311 0.84 KDM4E (0.43) NOTUMKDM4ENPSR1NPC1LMNA

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 PTPN1 1681/4885NOTUM 1379/4885CETP 478/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PTPN1 1681/4885NOTUM 1379/4885CETP 478/4885

“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.