SCHEMBL774842

SCHEMBL774842

O=C(Nc1cnccn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
SIRT2 Q8IXJ6 1/20 0.60
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.52
GSK3B P49841 2/20 0.52
GSK3A P49840 1/20 0.52
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
CASP1 P29466 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DEGS1 O15121 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3205726 0.92 KMT2A (0.61) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL3221206 0.90 SIRT2 (0.53) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL773831 0.88 KMT2A (0.60) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL3224360 0.88 RAB9A (0.71) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL22410921 0.86 NPC1 (0.70) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL3205567 0.85 CHRNB2 (0.59) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL775407 0.84 KMT2A (0.55) KMT2ASIRT2NPC1RAB9AMEN1
SCHEMBL3203522 0.83 NAMPT (0.72) SIRT2NPC1RAB9AALDH1A1TP53
SCHEMBL778050 0.83 KMT2A (0.60) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL3208598 0.81 POLB (0.70) KMT2ASIRT2NPC1RAB9AMEN1

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 15 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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US 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-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
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 KMT2A 3661/4885SIRT2 3381/4885NPC1 4661/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B KMT2A 764/4885SIRT2 1974/4885NPC1 2916/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 KMT2A 3661/4885SIRT2 3381/4885NPC1 4661/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 KMT2A 3489/4885SIRT2 3612/4885NPC1 4689/4885

“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.