SCHEMBL125202

SCHEMBL125202

Cc1cccnc1-c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 9/20 0.59
▸ RUNX1 Q01196 1/20 0.42
▸ METAP2 P50579 1/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ RIPK1 Q13546 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAP2K4 P45985 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL125165 0.84 CBFB (0.83) CBFBRUNX1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL125119 0.82 CBFB (0.49) CBFBMETAP2METAP1NPC1ALDH1A1
SCHEMBL11471783 0.78 NPC1 (0.61) METAP2METAP1NPC1ALDH1A1RAB9A
SCHEMBL23793430 0.78 F10 (0.52) —
SCHEMBL32660737 0.77 CBFB (0.80) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125118 0.77 CBFB (0.80) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19228812 0.77 RUNX1 (0.56) CBFBRUNX1METAP2METAP1NPC1
Hydrochloric Acid SCHEMBL30386854 0.77 F10 (0.51) —
Hydrochloric Acid SCHEMBL28582597 0.77 F10 (0.51) —
SCHEMBL125378 0.75 CBFB (0.58) CBFBMETAP2METAP1MAOADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 — — US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 — — US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 — — US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 — — US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 — — US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 — — 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885METAP2 3332/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885METAP2 3287/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885METAP2 3287/4885

“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.

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