SCHEMBL110083

SCHEMBL110083

COC(=O)c1nc(-c2ccc(OC)cc2)nc(-c2ccc(C)cc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 4/20 0.49
DPP4 P27487 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 1/20 0.42
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL142549 0.95 KDM4E (0.54) KDM4EPKMKMT2ADPP4MEN1
SCHEMBL15976009 0.79 MAPT (0.41) KDM4EPKMKMT2AMAPTMEN1
SCHEMBL110884 0.77 PLA2G2A (0.59) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL16075380 0.76 DHPS (0.47) KDM4EPKMKMT2AMAPTALDH1A1
SCHEMBL178633 0.75 DPP4 (0.57) KDM4EKMT2ADPP4MAPTALDH1A1
SCHEMBL10252036 0.74 DHPS (0.47) KDM4EPKMKMT2AMAPTMEN1
SCHEMBL15800340 0.73 KDM4E (0.43) KDM4EPKMKMT2ADPP4MAPT
SCHEMBL2492961 0.73 KDM4E (0.53) KDM4EPKMKMT2AMAPTMEN1
SCHEMBL10252200 0.73 KDM4E (0.52) KDM4EPKMKMT2AMAPTMEN1
SCHEMBL19175445 0.72 MAPT (0.66) KDM4EKMT2AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 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 (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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 KDM4E 928/4885PKM 997/4885KMT2A 699/4885

“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.