SCHEMBL14735486

SCHEMBL14735486

O=Cc1c[nH]c2nc(-c3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CYP2A6 P11509 2/20 0.45
IMPDH2 P12268 1/20 0.45
FEN1 P39748 1/20 0.43
PIM1 P11309 3/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
AXL P30530 1/20 0.36
TDO2 P48775 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 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
SCHEMBL29951425 1.00 KMT2A (0.51) KMT2ACYP2A6IMPDH2FEN1PIM1
SCHEMBL29956462 0.77 MAPK1 (0.42) KMT2ACDK9RAB9AAXLADORA2A
SCHEMBL5263827 0.75 KMT2A (0.54) KMT2ACYP2A6IMPDH2PIM1PIM3
SCHEMBL19281742 0.75 KMT2A (0.58) KMT2ACYP2A6IMPDH2PIM1GSK3A
SCHEMBL1714533 0.73 KMT2A (0.53) KMT2ACYP2A6IMPDH2PIM1PIM3
SCHEMBL29952450 0.73 KMT2A (0.53) KMT2ACYP2A6IMPDH2PIM1PIM3
SCHEMBL13132293 0.73 KMT2A (0.53) KMT2ACYP2A6IMPDH2PIM3TRIM24
SCHEMBL29953043 0.73 KMT2A (0.53) KMT2ACYP2A6IMPDH2PIM3TRIM24
SCHEMBL1713684 0.71 AXL (0.64) KMT2AGSK3BAXL
SCHEMBL5263340 0.71 KMT2A (0.43) KMT2ACYP2A6IMPDH2PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391936-B Carcinostatic agent THE UNIVERSITY OF TOKYO (JP) 2016-04-27 CN disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
CN-103391936-A Anticancer agent NAT UNIV CORP UNIV TOKYO 2013-11-13 CN disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KMT2A 576/4885CYP2A6 2842/4885IMPDH2 2387/4885

“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.