SCHEMBL125251

SCHEMBL125251

O=CNc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.57
METAP1 P53582 8/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
PKM P14618 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 3/20 0.57
MTOR P42345 1/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 1/20 0.57
CBFB Q13951 9/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
SYK P43405 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
SCHEMBL28864971 0.83 CBFB (0.62) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL4244107 0.80 METAP2 (0.61) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL1514626 0.78 KDM4E (0.58) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL13866553 0.78 NPC1 (0.74) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL12286891 0.78 NPC1 (0.58) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL10695351 0.77 METAP2 (0.54) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL125825 0.77 CBFB (0.81) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL14651241 0.77 SYK (0.83) METAP2METAP1NPC1RAB9ASMN1; SMN2
SCHEMBL14313513 0.76 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL13866537 0.76 NPC1 (0.81) METAP2METAP1NPC1RAB9ASMN1; SMN2

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 METAP2 3332/4885METAP1 2810/4885NPC1 1794/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB METAP2 3287/4885METAP1 2794/4885NPC1 1798/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB METAP2 3287/4885METAP1 2794/4885NPC1 1798/4885

“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.