SCHEMBL3561535

SCHEMBL3561535

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(NC(=O)NCCN(C)C(=O)OC(C)(C)C)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
PTPN11 Q06124 1/20 0.37
ATM Q13315 2/20 0.34
ABL1 P00519 2/20 0.34
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
MTOR P42345 2/20 0.32
PIK3CG P48736 2/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
IGF1R P08069 1/20 0.32
TSHR P16473 1/20 0.32
SRC P12931 1/20 0.32
SYK P43405 1/20 0.32
GSK3A P49840 1/20 0.32
MAPK14 Q16539 1/20 0.32
DRD2 P14416 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
SCHEMBL4439645 0.92 MAP4K1 (0.41) MAP4K1PTPN11ATMABL1PIK3CD
SCHEMBL13342628 0.82 MAP4K1 (0.42) MAP4K1PTPN11ABL1MAPTTP53
SCHEMBL3570870 0.81 MAP4K1 (0.61) MAP4K1ABL1IGF1R
SCHEMBL3564795 0.81 MAP4K1 (0.44) MAP4K1PTPN11ABL1MAPTTP53
SCHEMBL3565148 0.80 MAP4K1 (0.59) MAP4K1PTPN11ABL1MAPTSMN1; SMN2
SCHEMBL3565147 0.79 MAP4K1 (0.48) MAP4K1PTPN11ABL1MAPTSMN1; SMN2
SCHEMBL3568123 0.78 PTPN11 (0.48) MAP4K1PTPN11MAPTSMN1; SMN2TSHR
SCHEMBL13342660 0.77 MAP4K1 (0.39) MAP4K1PTPN11MAPTKDM4ESMN1; SMN2
SCHEMBL14208401 0.77 PTPN11 (0.42) MAP4K1PTPN11ABL1MAPTSMN1; SMN2
SCHEMBL3561085 0.77 PTPN11 (0.44) MAP4K1PTPN11MAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 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 (1 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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MAP4K1 3/4885PTPN11 1303/4885ATM 504/4885

“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.