SCHEMBL3012057

SCHEMBL3012057

Nc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)c2nc([C@H]3CC[C@H](N)CC3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TYK2 P29597 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
IKBKB O14920 2/20 0.38
CHUK O15111 2/20 0.38
IKBKG Q9Y6K9 2/20 0.38
PDE10A Q9Y233 2/20 0.37
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PRKCZ Q05513 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2C P18825 1/20 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
SCHEMBL3022043 0.99 MEN1 (0.41) ADORA2AMEN1KMT2ATYK2JAK2
SCHEMBL3533740 0.92 BTK (0.44) TYK2JAK2JAK1JAK3PDE10A
SCHEMBL3013419 0.92 BTK (0.44) TYK2JAK2JAK1JAK3PDE10A
SCHEMBL3017869 0.90 CA12 (0.42) MEN1KMT2AJAK1RECQLCHRM2
SCHEMBL3527086 0.88 NPC1 (0.44) JAK2JAK1HPGD
SCHEMBL3530853 0.86 BTK (0.40) ADORA2AMEN1KMT2ATYK2JAK2
SCHEMBL3011161 0.83 SRC (0.36) MEN1KMT2ABLMHPGD
SCHEMBL3530417 0.82 CCNE1 (0.54)
SCHEMBL3018526 0.81 CDK2 (0.36) ADORA2AJAK2JAK1JAK3PDE10A
SCHEMBL3026214 0.81 ALDH1A1 (0.42) MEN1KMT2AHPGD

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 8 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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US 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
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
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 (3 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 ADORA2A 1457/4885MEN1 1569/4885KMT2A 665/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ADORA2A 1448/4885MEN1 1665/4885KMT2A 584/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ADORA2A 1518/4885MEN1 1632/4885KMT2A 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.