SCHEMBL3221907

SCHEMBL3221907

COc1ccc(NC(=O)c2ccnc(-c3cccc(F)c3)c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
KEAP1 Q14145 1/20 0.66
NFE2L2 Q16236 1/20 0.66
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
POLB P06746 1/20 0.55
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
MAPT P10636 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL3224576 0.88 KMT2A (0.67) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3212017 0.86 KMT2A (0.61) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3208827 0.86 KMT2A (0.69) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3203230 0.84 KMT2A (0.64) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3214121 0.83 MEN1 (0.61) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL777760 0.80 KMT2A (0.66) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL3203911 0.80 KMT2A (0.55) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL1417105 0.78 MEN1 (0.81) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL14082451 0.76 MEN1 (0.58) KMT2AMEN1KEAP1NFE2L2CASP3
SCHEMBL5650231 0.75 RAB9A (0.76) KMT2AMEN1KEAP1NFE2L2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (1 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B KMT2A 764/4885MEN1 2335/4885KEAP1 1296/4885

“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.