SCHEMBL8178554

SCHEMBL8178554

NNC(=O)NCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.54
EPHX2 P34913 1/20 0.54
SRC P12931 1/20 0.54
MAPK1 P28482 2/20 0.52
RAB9A P51151 2/20 0.52
ROCK2 O75116 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ATG4B Q9Y4P1 1/20 0.49
ROCK1 Q13464 1/20 0.49
NAMPT P43490 2/20 0.48
CASP3 P42574 1/20 0.48
MTOR P42345 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL15431479 0.88 MAPT (0.54) MAPK1LMNAPOLBTP53
SCHEMBL15682780 0.85 SRC (0.52) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL9269432 0.83 ANPEP (0.58) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL31173724 0.83 SRC (0.56) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL1490532 0.83 SRC (0.56) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL22026435 0.81 CYP1A2 (0.62) SRCMAPK1ROCK2LMNAROCK1
SCHEMBL3109722 0.81 SRC (0.61) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL29699631 0.81 SRC (0.61) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL4903940 0.81 ANPEP (0.52) ANPEPEPHX2SRCMAPK1RAB9A
SCHEMBL14434568 0.81 LMNA (0.73) EPHX2RAB9AROCK2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 US disclosed
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 US disclosed
WO-2008138448-A2 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-20 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-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES SGK3, SGK2, SGK1 ANPEP 3508/4885EPHX2 4148/4885SRC 827/4885

“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.