SCHEMBL3559435

SCHEMBL3559435

CCOc1ccc(Nc2c(C)c(N)nn3cc([C@H]4CC[C@H](N)CC4)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.44
MERTK Q12866 1/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
RAD52 P43351 1/20 0.36
SLC2A1 P11166 1/20 0.36
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL3021476 1.00 MAPKAPK2 (0.44) MAPKAPK2MERTKKMT2ANPC1MEN1
SCHEMBL3530250 0.93 MAPKAPK2 (0.37) MAPKAPK2MERTKMAPT
SCHEMBL3017638 0.90 KDM4E (0.40) MAPKAPK2MERTKKMT2ANPC1MEN1
SCHEMBL3021686 0.90 MAPKAPK2 (0.40) MAPKAPK2MERTKKMT2ANPC1MEN1
SCHEMBL3023380 0.88 MAPKAPK2 (0.39) MAPKAPK2MERTKKMT2ANPC1MEN1
SCHEMBL3015022 0.87 NPC1 (0.42) KMT2ANPC1MEN1MAPTRAB9A
SCHEMBL3013428 0.87 MAP2K1 (0.41) MAPKAPK2KDR
SCHEMBL3527591 0.87 MAP2K1 (0.41) MAPKAPK2KDR
SCHEMBL3023725 0.87 MAPT (0.40) MAPKAPK2MERTKKMT2ANPC1MEN1
SCHEMBL3531623 0.87 MAPT (0.40) MAPKAPK2MERTKKMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US claimed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 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 (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 MAPKAPK2 25/4885MERTK 583/4885KMT2A 665/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885MERTK 629/4885KMT2A 726/4885

“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.