SCHEMBL13122305

SCHEMBL13122305

FC(F)(F)c1ccccc1CNc1ccc2[nH]ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.54
▸ TRPM8 Q7Z2W7 3/20 0.54
▸ PTK2 Q05397 1/20 0.53
▸ PTK2B Q14289 1/20 0.53
▸ ROCK2 O75116 2/20 0.52
▸ ROCK1 Q13464 2/20 0.52
▸ IDH1 O75874 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ PTGES O14684 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ TRPM5 Q9NZQ8 1/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ HAO1 Q9UJM8 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL6213429 0.82 PTK2 (0.65) PTK2PTK2BROCK2ROCK1ABL1
SCHEMBL6210003 0.82 PTK2 (0.65) PTK2PTK2B
SCHEMBL13122304 0.81 ROCK2 (0.61) TRPA1ROCK2ROCK1IDH1MKNK2
SCHEMBL13220380 0.80 PTK2 (0.51) PTK2PTK2BROCK2ROCK1ABL1
SCHEMBL5407860 0.78 CTNNB1 (0.60) ROCK2ROCK1PTGESCTNNB1WNT3A
SCHEMBL13122212 0.77 HDAC1 (0.54) ROCK2ROCK1IDH1TRPM5TRPV1
SCHEMBL13122375 0.77 ROCK2 (0.61) ROCK2ROCK1MKNK1MKNK2TRPM5
SCHEMBL6692058 0.76 UTS2R (0.51) MKNK2ABL1SRCMEN1KMT2A
SCHEMBL13122773 0.76 TDO2 (0.60) ROCK2ROCK1IDH1TRPM5HAO1
SCHEMBL5416850 0.75 PAK4 (0.59) ROCK2ROCK1IDH1TRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 — — US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 — — 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 TRPA1 2969/4885TRPM8 4041/4885PTK2 4414/4885

“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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