SCHEMBL4760686

SCHEMBL4760686

Nc1cc(N)c2nc(-c3ccccc3)cn2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GAA P10253 1/20 0.60
ADORA1 P30542 5/20 0.51
ADORA2A P29274 4/20 0.51
MAPT P10636 4/20 0.50
PKM P14618 2/20 0.50
GLA P06280 1/20 0.48
RECQL P46063 1/20 0.48
PLK4 O00444 1/20 0.45
JAK2 O60674 1/20 0.45
RET P07949 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL4757862 0.87 RAB9A (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4709566 0.84 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5453379 0.83 NPC1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22158562 0.80 TLR8 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31743980 0.71 KDM4E (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30224560 0.70 SMN1; SMN2 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9082442 0.68 ALDH1A3 (0.68) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2953516 0.67 MAPT (1.00) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23993911 0.67 SMN1; SMN2 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31744089 0.67 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (2 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 KDM4E 853/4885ALDH1A1 3349/4885NPC1 4484/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDM4E 3218/4885ALDH1A1 2624/4885NPC1 883/4885

“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.