SCHEMBL18002017

SCHEMBL18002017

Cc1cc(C=O)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KIF11 P52732 11/20 0.41
AKR1C3 P42330 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
IDH1 O75874 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL18002293 0.86 NOTUM (0.41) KIF11
SCHEMBL18002087 0.83 PTPN5 (0.46) MAPTKIF11
SCHEMBL14959919 0.82 KIF11 (0.58) MAPTKIF11
SCHEMBL19301032 0.82 KIF11 (0.54) MAPTKIF11PSEN1PSEN2APH1B
SCHEMBL17969141 0.81 RXRA (0.41) KIF11
SCHEMBL18002153 0.80 KIF11 (0.40) MAPTKIF11AKR1C3IDH1CYP1A1
SCHEMBL18002263 0.80 AURKA (0.43) KIF11
SCHEMBL18003550 0.79 KIF11 (0.42) MAPTKIF11
SCHEMBL18002431 0.78 KIF11 (0.51) KIF11AKR1C3
SCHEMBL18003448 0.78 CYP11B2 (0.40) IDH1

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 MAPT 2196/4885KIF11 3245/4885AKR1C3 888/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885KIF11 3245/4885AKR1C3 888/4885

“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.