SCHEMBL775158

SCHEMBL775158

COc1ncc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.61
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
TRPV1 Q8NER1 1/20 0.51
ALDH1A1 P00352 2/20 0.49
DYRK1A Q13627 3/20 0.48
DYRK1B Q9Y463 1/20 0.48
PRKD3 O94806 3/20 0.48
MAP4K4 O95819 3/20 0.48
NTRK1 P04629 3/20 0.48
AXL P30530 3/20 0.48
FLT4 P35916 3/20 0.48
FLT3 P36888 3/20 0.48
CLK2 P49760 3/20 0.48

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
SCHEMBL777653 0.87 MEN1 (0.64) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL774074 0.84 KCNQ3 (0.52) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL774990 0.83 KCNQ3 (0.59) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL773730 0.83 PLAU (0.62) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL774698 0.83 KCNQ3 (0.77) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3199806 0.81 PTPN1 (0.67) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL775160 0.81 MAPT (0.56) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL775208 0.81 KMT2A (0.64) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL774620 0.81 KCNQ3 (0.59) ABL1KMT2ALMNAMEN1KDM4E
SCHEMBL776898 0.81 KCNQ3 (0.56) ABL1KMT2ALMNAMEN1KDM4E

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
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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 (4 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 ABL1 2764/4885KMT2A 3661/4885LMNA 751/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B ABL1 1015/4885KMT2A 764/4885LMNA 1934/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 ABL1 2764/4885KMT2A 3661/4885LMNA 751/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 ABL1 2400/4885KMT2A 3489/4885LMNA 756/4885

“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.