SCHEMBL775239

SCHEMBL775239

COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccncc4)cc3)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.61
ROCK1 Q13464 1/20 0.61
ABL1 P00519 4/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
NAMPT P43490 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PTPN1 P18031 1/20 0.50
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL773257 0.91 MEN1 (0.56) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL777653 0.91 MEN1 (0.64) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL776000 0.91 MEN1 (0.70) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL775074 0.90 NPC1 (0.62) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL775233 0.90 ROCK2 (0.65) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL774062 0.89 MEN1 (0.56) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL775843 0.88 MEN1 (0.57) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL3203494 0.88 ABL1 (0.63) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL3200374 0.87 ABL1 (0.55) ROCK2ROCK1ABL1MEN1KMT2A
SCHEMBL775228 0.87 MEN1 (0.57) ROCK2ROCK1ABL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US disclosed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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 (3 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 ROCK2 506/4885ROCK1 447/4885ABL1 2764/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 ROCK2 506/4885ROCK1 447/4885ABL1 2764/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 ROCK2 606/4885ROCK1 514/4885ABL1 2400/4885

“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.