SCHEMBL17100103

SCHEMBL17100103

FC(F)(F)Oc1cccc(-c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.67
▸ CBFB Q13951 2/20 0.52
▸ RUNX1 Q01196 1/20 0.52
▸ XDH P47989 1/20 0.50
▸ DYRK1A Q13627 8/20 0.49
▸ NPY5R Q15761 1/20 0.48
▸ SYK P43405 1/20 0.47
▸ ATR Q13535 1/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ KCNA5 P22460 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ SLC6A7 Q99884 1/20 0.44

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
SCHEMBL8103598 0.81 DYRK1A (0.61) GRM5XDHDYRK1ANPY5RSYK
SCHEMBL19514104 0.81 KDM4E (0.55) GRM5CBFBRUNX1NPY5RSCN10A
SCHEMBL4187017 0.81 GRM5 (1.00) GRM5
SCHEMBL4190500 0.81 GRM5 (0.67) GRM5CBFBRUNX1XDHDYRK1A
SCHEMBL31187765 0.81 GRM5 (0.49) GRM5DYRK1A
SCHEMBL17500184 0.81 GRM5 (0.49) GRM5DYRK1A
SCHEMBL30117418 0.81 GRM4 (0.51) GRM5KCNH2
SCHEMBL22954280 0.81 GRM4 (0.51) GRM5KCNH2
SCHEMBL23526602 0.80 GRM5 (0.48) GRM5DYRK1A
SCHEMBL31083655 0.80 GRM5 (0.48) GRM5DYRK1A

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
US-9802914-B2 Antifungal compound process VIAMET PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS Mycovia Pharmaceuticals, Inc. 2017-03-23 — — US disclosed
EP-3119749-A1 ANTIFUNGAL COMPOUND PROCESS Viamet Pharmaceuticals, Inc. (US) 2017-01-25 — — EP disclosed
WO-2015143137-A1 ANTIFUNGAL COMPOUND PROCESS VIAMET PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO 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-20170081309-A1 ANTIFUNGAL COMPOUND PROCESS ERG28, DPM1, CYP51A1 GRM5 3658/4885CBFB 3666/4885RUNX1 3165/4885

“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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