SCHEMBL6312939

SCHEMBL6312939

O=C(Nc1ccc(F)cc1)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.77
ROCK2 O75116 10/20 0.77
NPC1 O15118 3/20 0.76
RAB9A P51151 3/20 0.76
RPS6KB1 P23443 4/20 0.63
MAP4K4 O95819 3/20 0.63
CLK4 Q9HAZ1 3/20 0.63
CLK2 P49760 2/20 0.63
DYRK1A Q13627 2/20 0.63
DYRK3 O43781 1/20 0.63
CSNK2A1 P68400 1/20 0.63
MKNK2 Q9HBH9 1/20 0.63
MAOB P27338 2/20 0.60
PRKX P51817 2/20 0.59
AURKA O14965 1/20 0.59
LCK P06239 1/20 0.59
MET P08581 1/20 0.59
PDGFRB P09619 1/20 0.59
PIM1 P11309 1/20 0.59
PDGFRA P16234 1/20 0.59

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
SCHEMBL15147870 0.87 ROCK2 (1.00) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL1664461 0.86 NPC1 (1.00) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL12059650 0.86 ROCK2 (0.79) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL5414918 0.83 NPC1 (0.85) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL4112657 0.82 ROCK2 (0.67) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL23430082 0.81 NPC1 (0.65) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL1163706 0.80 ROCK2 (0.74) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL26715360 0.80 NPC1 (0.63) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL5643476 0.80 ROCK2 (0.83) ROCK1ROCK2NPC1RAB9ARPS6KB1
SCHEMBL20661268 0.79 NPC1 (0.62) ROCK1ROCK2NPC1RAB9ARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119304-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-06-02 US claimed
US-20050119304-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-06-02 US disclosed
EP-1465623-A1 UREA DERIVATIVES Bayer HealthCare AG (DE) 2004-10-13 EP disclosed
WO-2003055484-A1 UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-07-10 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-20050119304-A1 Urea derivatives SLC14A1, UBA1, UFM1 ROCK1 1838/4885ROCK2 4108/4885NPC1 2788/4885

“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.