SCHEMBL3527591

SCHEMBL3527591

Cc1c(N)nn2cc([C@H]3CC[C@H](N)CC3)nc2c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.41
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
KCNH2 Q12809 1/20 0.34
SRC P12931 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL3013428 1.00 MAP2K1 (0.41) MAP2K1SCN5ASCN9AKCNH2SRC
SCHEMBL3023068 0.91 SRC (0.39) SRCMAPKAPK2
SCHEMBL3017833 0.91 SRC (0.39) SRCMAPKAPK2
SCHEMBL3531352 0.91 SRC (0.39) SRCMAPKAPK2
SCHEMBL3019404 0.90 SRC (0.36) SRCLCKKDRTEK
SCHEMBL3015022 0.87 NPC1 (0.42) SRC
SCHEMBL3021476 0.87 MAPKAPK2 (0.44) MAPKAPK2KDR
SCHEMBL3559435 0.87 MAPKAPK2 (0.44) MAPKAPK2KDR
SCHEMBL3530250 0.85 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL3529178 0.84 CDK1 (0.41) MAPKAPK2

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-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAP2K1 35/4885SCN5A 2705/4885SCN9A 2688/4885

“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.