SCHEMBL3374199

SCHEMBL3374199

COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C#N)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.44
CYP1A2 P05177 7/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2C19 P33261 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
CYP2D6 P10635 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 3/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 1/20 0.41
AAK1 Q2M2I8 1/20 0.38
CYP2C9 P11712 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
DGAT1 O75907 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL3377327 0.85 AXL (0.36) CYP1A2CYP2C19ALDH1A1CYP2D6AAK1
SCHEMBL5067359 0.85 AXL (0.34) KITCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4371542 0.83 FGFR2 (0.36) AAK1DGAT1KMT2AAXLTYRO3
SCHEMBL3488599 0.83 TP53 (0.39) AAK1EGLN1
SCHEMBL4359217 0.83 FYN (0.37) AAK1EGLN1AXL
SCHEMBL12343533 0.83 ALOX5AP (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL3489403 0.82 CHEK1 (0.38) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL5063978 0.82 MERTK (0.32) AXLTYRO3MERTKCTSA
SCHEMBL5064598 0.82 FABP3 (0.38) EGLN1DGAT1AXLTYRO3MERTK
SCHEMBL4364267 0.82 AKR1C3 (0.38) CTSA

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 23 patents — showing the first 20. 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
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
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 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
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
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 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 (4 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-20060035898-A1 Fused ring heterocycle kinase modulators MAP3K20, TTK, MAP3K19 KIT 819/4885CYP1A2 4069/4885CYP3A4 3559/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 KIT 819/4885CYP1A2 4069/4885CYP3A4 3559/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 KIT 819/4885CYP1A2 4069/4885CYP3A4 3559/4885
US-20090203687-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 KIT 819/4885CYP1A2 4069/4885CYP3A4 3559/4885

“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.