SCHEMBL3373299

SCHEMBL3373299

CON(C)C(=O)c1nc(I)cnc1N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.33
ATR Q13535 11/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PRKDC P78527 1/20 0.31
MLYCD O95822 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL2112207 0.84 ATR (0.40) ACVR1ATRGRM5
SCHEMBL3406909 0.83 ATR (0.44) ACVR1ATRTRPM8CLK1DYRK1A
SCHEMBL12343675 0.83 GRM5 (0.45) ACVR1ATRTRPM8CLK1DYRK1A
SCHEMBL29804434 0.79 NPSR1 (0.47) ACVR1ATRDYRK1ADYRK1BPRKDC
SCHEMBL3003587 0.79 NPSR1 (0.47) ACVR1ATRDYRK1ADYRK1BPRKDC
SCHEMBL13076081 0.78 CLK1 (0.38) TRPM8CLK1DYRK1ADYRK1BMLYCD
SCHEMBL3593546 0.76 ATR (0.55) ATRPRKDC
SCHEMBL3410609 0.76 PRKCI (0.40) ATRMLYCDGRM5
SCHEMBL30851681 0.76 PRKCI (0.40) ATRMLYCDGRM5
SCHEMBL30852090 0.74 GRM5 (0.36) ACVR1TRPM8CLK1DYRK1ADYRK1B

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 29 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-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
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-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
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
EP-1778687-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
US-20060035898-A1 Fused ring heterocycle kinase modulators STRUCTURAL GENOMIX, INC. (US) 2006-02-16 US disclosed
WO-2006015124-A2 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 WO 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-20060035898-A1 Fused ring heterocycle kinase modulators MAP3K20, TTK, MAP3K19 ACVR1 1365/4885ATR 713/4885TRPM8 3428/4885
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 ACVR1 1365/4885ATR 713/4885TRPM8 3428/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 ACVR1 1365/4885ATR 713/4885TRPM8 3428/4885

“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.