SCHEMBL18003702

SCHEMBL18003702

O=Cc1ccn(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
NOTUM Q6P988 4/20 0.52
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
KDM1A O60341 1/20 0.41
BRD9 Q9H8M2 1/20 0.40

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
SCHEMBL519012 0.82 ALDH1A1 (0.62) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL2217122 0.81 UBE2N (0.43) ALDH1A1NOTUMMAPTKDM1A
SCHEMBL16201993 0.80 NOTUM (0.56) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL45043 0.77 NOTUM (0.56) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL14495367 0.77 EPHX2 (0.57) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL4251316 0.77 MEN1 (0.54) ALDH1A1MEN1MAPTKMT2AHTT
Hydrochloric Acid SCHEMBL1082574 0.76 NOTUM (0.55) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL1060286 0.76 P2RX7 (0.56) ALDH1A1CYP2C9MEN1MAPTKMT2A
SCHEMBL518725 0.75 ALDH1A1 (0.64) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19
SCHEMBL31174792 0.75 NOTUM (0.51) ALDH1A1NOTUMCYP1A2CYP3A4CYP2C19

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 ALDH1A1 1611/4885NOTUM 1379/4885CYP1A2 1825/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885NOTUM 1379/4885CYP1A2 1825/4885

“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.