SCHEMBL12426530

SCHEMBL12426530

Nc1cc(Nc2cc(-c3cc(CF)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 5/20 0.33
TRPV1 Q8NER1 2/20 0.32
MAPK3 P27361 1/20 0.32
PDPK1 O15530 1/20 0.31
CDK5 Q00535 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACP1 P24666 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
SYK P43405 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
SCHEMBL12424688 0.88 TGFBR1 (0.40) TRPV1MAPK3TGFBR1F2F10
SCHEMBL15976495 0.87 ACP1 (0.40) SUCNR1TRPV1MAPK3TGFBR1ACP1
SCHEMBL12424821 0.87 TGFBR1 (0.42) TRPV1TGFBR1ACP1
SCHEMBL12425320 0.86 CYP1A2 (0.41) TRPV1MAPK3TGFBR1F2F10
SCHEMBL12425347 0.85 TRPV1 (0.42) TRPV1MAPK3CLK4
SCHEMBL12424685 0.77 TGFBR1 (0.39) TRPV1MAPK3CDK5CLK4TGFBR1
SCHEMBL14227397 0.75 MAP4K1 (0.32) TRPV1MAPK3CLK4ACP1SYK
SCHEMBL12426290 0.74 TGFBR1 (0.39) TRPV1MAPK3CLK4TGFBR1
SCHEMBL12424786 0.74 EGFR (0.44) SUCNR1TGFBR1
SCHEMBL12425348 0.74 EGFR (0.40) SUCNR1TGFBR1

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-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D SUCNR1 2302/4885TRPV1 4168/4885MAPK3 1961/4885

“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.