SCHEMBL13106358

SCHEMBL13106358

CCc1nn(C)c2c(F)cc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ NMT1 P30419 1/20 0.31

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
SCHEMBL13106424 0.83 GAA (0.33) GAAMAPK8MAPK9MAPK10
SCHEMBL13106364 0.82 GAA (0.36) GAAMAPK8MAPK9MAPK10
SCHEMBL13106360 0.81 MAPK8 (0.36) GAAMAPK8MAPK9MAPK10NMT1
SCHEMBL13106432 0.81 MAPK8 (0.41) GAAMAPK8MAPK9MAPK10
SCHEMBL13106248 0.80 ADORA2A (0.42) MAPK8NMT1
SCHEMBL20356426 0.77 L3MBTL1 (0.33) MAPK8NMT1
SCHEMBL13106354 0.73 ALDH1A1 (0.41) GAA
SCHEMBL13106443 0.72 GAA (0.36) GAAMAPK8MAPK9MAPK10
SCHEMBL31647306 0.72 L3MBTL1 (0.35) MAPK8NMT1
SCHEMBL20356427 0.72 L3MBTL1 (0.30) —

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 GAA 55/4885MAPK8 3107/4885MAPK9 2234/4885

“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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