SCHEMBL3012729

SCHEMBL3012729

Nc1cc(Nc2ccc(Oc3ccccc3)cc2)c2nc([C@H]3CC[C@@H](N)CC3)cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.38
SCN9A Q15858 4/20 0.38
KCNH2 Q12809 1/20 0.37
SRC P12931 1/20 0.37
ERBB2 P04626 1/20 0.33
MAP2K1 Q02750 2/20 0.32
SYK P43405 2/20 0.32
PTGS2 P35354 1/20 0.32
BTK Q06187 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TNK2 Q07912 1/20 0.32
TTBK1 Q5TCY1 1/20 0.32
TTBK2 Q6IQ55 1/20 0.32
RET P07949 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3527290 1.00 SCN5A (0.38) SCN5ASCN9AKCNH2SRCERBB2
SCHEMBL3528525 0.92 SIRT2 (0.40) SRCSYKBTK
SCHEMBL3018102 0.91 SRC (0.43) SRCERBB2PDE10AALDH1A1
SCHEMBL3006895 0.91 SRC (0.43) SRCERBB2PDE10AALDH1A1
SCHEMBL3023110 0.91 SRC (0.43) SRCERBB2PDE10AALDH1A1
SCHEMBL3028254 0.88 IGF1R (0.36) SRCTNK2
SCHEMBL3023055 0.88 MAPK8 (0.38) MAPK8MAPK9MAPK10MAPK14ALDH1A1
SCHEMBL4576416 0.88 MAPKAPK2 (0.44) ERBB2SYKPTGS2BTKTTBK1
SCHEMBL3011161 0.87 SRC (0.36) SRCALDH1A1ALOX15
SCHEMBL3529604 0.86 ACP1 (0.36) SYKTTBK1TTBK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
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 (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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 SCN5A 1970/4885SCN9A 2168/4885KCNH2 1000/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SCN5A 2705/4885SCN9A 2688/4885KCNH2 1122/4885

“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.