SCHEMBL17518816

SCHEMBL17518816

Cc1nc(-c2ccc(C(F)(F)F)nc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 8/20 0.44
▸ KCNH2 Q12809 3/20 0.44
▸ KDM5B Q9UGL1 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MINK1 Q8N4C8 1/20 0.40
▸ PI4KB Q9UBF8 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
SCHEMBL19390317 0.81 KCNH2 (0.41) TRPV3KCNH2KDM5BTRPV4MAP4K4
SCHEMBL16144649 0.81 KCNH2 (0.45) TRPV3KCNH2KDM5B
SCHEMBL17518867 0.77 RAD51 (0.47) —
SCHEMBL4861251 0.76 PIK3CD (0.42) TRPV3
SCHEMBL30641497 0.76 TRPV4 (0.44) TRPV3KCNH2KDM5BTRPV4MAP4K4
SCHEMBL17983446 0.73 ENPP3 (0.36) —
SCHEMBL4865238 0.73 CYP19A1 (0.47) PTGS2PIK3CA
SCHEMBL13680557 0.73 TRPV3 (0.51) TRPV3KCNH2PTGS2
SCHEMBL28864065 0.73 KDM4E (0.46) TRPV3KCNH2TRPV4PIK3CA
SCHEMBL12538145 0.73 TRPV3 (0.54) TRPV3KCNH2TRPV4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 — — EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — 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 (1 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI TRPV3 4616/4885KCNH2 3015/4885KDM5B 1016/4885

“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.

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