SCHEMBL773064

SCHEMBL773064

CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(-c4ccc(-c5ccccc5)cc4)c3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.56
TRPV1 Q8NER1 1/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
DYRK1A Q13627 1/20 0.53
ABL1 P00519 1/20 0.52
PAICS P22234 1/20 0.51
RET P07949 6/20 0.51
HDAC1 Q13547 1/20 0.50
DDR2 Q16832 1/20 0.49
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
SLC2A1 P11166 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
MCHR1 Q99705 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47

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
SCHEMBL774442 0.85 RAB9A (0.65) KCNQ3KCNQ2MCHR1
SCHEMBL775201 0.84 KCNQ3 (0.58) TRPV1CLK2ABL1HDAC1KCNQ3
SCHEMBL401260 0.81 PAICS (0.56) MAPK7ABL1PAICSHDAC1DDR2
SCHEMBL1018575 0.80 MAPK7 (0.51) MAPK7ABL1RET
SCHEMBL4968510 0.80 MAPK7 (0.52) MAPK7ABL1PAICSRETDDR2
SCHEMBL774990 0.79 KCNQ3 (0.59) ABL1KCNQ3KCNQ2
SCHEMBL774698 0.79 KCNQ3 (0.77) KCNQ3KCNQ2
SCHEMBL774620 0.77 KCNQ3 (0.59) CLK2ABL1KCNQ3KCNQ2
SCHEMBL403622 0.77 SMO (0.58) MAPK7ABL1PAICSSLC2A1MCHR1
SCHEMBL776898 0.77 KCNQ3 (0.56) CLK2ABL1HDAC1KCNQ3KCNQ2

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 MAPK7 2902/4885TRPV1 4766/4885CLK2 4535/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 MAPK7 2902/4885TRPV1 4766/4885CLK2 4535/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 MAPK7 2817/4885TRPV1 4784/4885CLK2 4571/4885

“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.