SCHEMBL775121

SCHEMBL775121

COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4cncc(CN(C)C)c4)cc3)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.50
CLK3 P49761 3/20 0.50
DYRK1A Q13627 3/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
ABL1 P00519 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
WNT1 P04628 2/20 0.44
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL775033 0.92 KMT2A (0.52) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL775212 0.91 CLK2 (0.59) CLK2CLK3DYRK1AKMT2AMEN1
SCHEMBL774653 0.91 SMN1; SMN2 (0.53) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL775258 0.90 KMT2A (0.58) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL3218441 0.88 CLK2 (0.57) CLK2CLK3DYRK1AKMT2AMEN1
SCHEMBL774062 0.84 MEN1 (0.56) CLK2CLK3DYRK1AKMT2AMEN1
SCHEMBL773257 0.84 MEN1 (0.56) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL775239 0.83 ROCK2 (0.61) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL775228 0.83 MEN1 (0.57) KMT2AMEN1KEAP1NFE2L2ROCK2
SCHEMBL776000 0.82 MEN1 (0.70) KMT2AMEN1KEAP1NFE2L2ROCK2

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 8 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
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

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 CLK2 4535/4885CLK3 4463/4885DYRK1A 4688/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 CLK2 4535/4885CLK3 4463/4885DYRK1A 4688/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 CLK2 4571/4885CLK3 4490/4885DYRK1A 4544/4885

“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.