SCHEMBL12343191

SCHEMBL12343191

COc1ccccc1-c1n[nH]c2ncc(-c3ccnc(C(=O)N(C)C)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.52
MAP4K1 Q92918 2/20 0.51
LRRK2 Q5S007 1/20 0.41
FGFR3 P22607 1/20 0.40
WNT3A P56704 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
FYN P06241 2/20 0.38
MAPK14 Q16539 1/20 0.38
AAK1 Q2M2I8 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
PLCG1 P19174 1/20 0.38
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
IGF1R P08069 1/20 0.37
FGFR2 P21802 1/20 0.37

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
SCHEMBL12343157 0.90 ABL1 (0.44) ABL1MAP4K1LRRK2WNT3AFYN
SCHEMBL12343141 0.89 ABL1 (0.53) ABL1MAP4K1LRRK2FGFR3AAK1
SCHEMBL12343729 0.86 ABL1 (0.59) ABL1MAP4K1FYNAAK1CYP3A4
SCHEMBL12343291 0.86 ABL1 (0.59) ABL1MAP4K1FYNAAK1MAPK1
SCHEMBL12342946 0.85 MAP4K1 (0.59) ABL1MAP4K1LRRK2PIK3C3AAK1
SCHEMBL12343063 0.85 ABL1 (0.73) ABL1MAP4K1LRRK2AAK1CYP3A4
SCHEMBL3488654 0.84 MAP4K1 (0.73) ABL1MAP4K1AAK1CYP3A4CAMKK2
SCHEMBL12343173 0.84 MAP4K1 (0.60) ABL1MAP4K1LRRK2PIK3C3AAK1
SCHEMBL3489122 0.84 MAP4K1 (0.56) ABL1MAP4K1LRRK2PIK3C3AAK1
SCHEMBL3489349 0.83 MAP4K1 (0.59) ABL1MAP4K1AAK1CYP3A4CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829558-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
EP-2239262-A2 Fused ring heterocycle kinase modulators SGX Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-7452993-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2008-11-18 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-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 ABL1 141/4885MAP4K1 19/4885LRRK2 428/4885
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ABL1 141/4885MAP4K1 19/4885LRRK2 428/4885

“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.