SCHEMBL13106424

SCHEMBL13106424

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.31
▸ OPRL1 P41146 1/20 0.30
▸ KHK P50053 1/20 0.30
▸ SLC34A1 Q06495 1/20 0.30

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
SCHEMBL13106443 0.85 GAA (0.36) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106364 0.85 GAA (0.36) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106436 0.83 MAPK8 (0.36) GAABRD9MAPK8MAPK9MAPK10
SCHEMBL13106432 0.83 MAPK8 (0.41) GAABRD9MAPK8MAPK9MAPK10
SCHEMBL13106358 0.83 GAA (0.32) GAAMAPK8MAPK9MAPK10
SCHEMBL13106296 0.77 ADORA2A (0.44) PDE10A
SCHEMBL13106354 0.76 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1KHK
SCHEMBL19255563 0.74 PDE10A (0.32) PDE10A
SCHEMBL13106215 0.72 MAPK8 (0.40) GAAMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL13106381 0.71 GAA (0.40) GAABRD9MAPK8MAPK9MAPK10

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 55/4885BRD9 1115/4885MAPK8 3107/4885

“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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