SCHEMBL6093985

SCHEMBL6093985

CC(=O)N(C)CCNc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MELK Q14680 4/20 0.34
PIM1 P11309 1/20 0.34
BUB1 O43683 5/20 0.33
IKBKB O14920 1/20 0.33
KMT2A Q03164 2/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6092075 0.87 HCAR3 (0.40) ROCK2ROCK1BUB1KMT2AMEN1
SCHEMBL6095310 0.85 HCAR3 (0.42) ROCK2ROCK1NPC1RAB9AMAPT
SCHEMBL6093483 0.85 HCAR3 (0.43) ROCK2ROCK1BUB1IKBKBKMT2A
SCHEMBL6093288 0.85 ROCK2 (0.39) ROCK2ROCK1BUB1KMT2AMEN1
SCHEMBL6093234 0.83 KMT2A (0.46) ROCK2ROCK1BUB1KMT2ATDO2
SCHEMBL6095908 0.83 HCAR3 (0.41) ROCK2ROCK1BUB1KMT2AMEN1
SCHEMBL6092785 0.82 KIT (0.41) ROCK2ROCK1PIM1BUB1KMT2A
SCHEMBL6394774 0.82 ROCK2 (0.42) ROCK2ROCK1BUB1KMT2AMEN1
SCHEMBL6092145 0.79 LCK (0.40) MELK
SCHEMBL6094152 0.78 ROCK2 (0.35) ROCK2ROCK1BUB1RAB9AMAPT

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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US claimed
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP claimed
WO-2001016103-A1 FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-03-08 WO claimed
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 ROCK2 4601/4885ROCK1 4691/4885MELK 4596/4885

“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.