SCHEMBL2113210

SCHEMBL2113210

CN(C)C(=O)c1cncc(-c2cnc3[nH]nc(-c4ccccc4)c3c2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
MAP4K1 Q92918 3/20 0.41
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IGF1R P08069 3/20 0.38
FYN P06241 2/20 0.37
ATR Q13535 1/20 0.37
TNIK Q9UKE5 1/20 0.37
KCNA5 P22460 1/20 0.37
DHODH Q02127 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL2114679 0.84 ABL1 (0.53) ABL1MAP4K1CYP3A4IGF1RFYN
SCHEMBL2600639 0.83 MAP4K1 (0.35) ABL1MAP4K1FYNKCNA5
SCHEMBL2115474 0.78 ABL1 (0.54) ABL1MAP4K1CYP3A4IGF1RTNIK
SCHEMBL2602517 0.77 ABL1 (0.52) ABL1MAP4K1CYP3A4IGF1RTNIK
SCHEMBL2114124 0.77 ABL1 (0.52) ABL1MAP4K1CYP3A4IGF1RTNIK
SCHEMBL2600532 0.75 ABL1 (0.70) ABL1MAP4K1IGF1R
SCHEMBL2112402 0.75 ABL1 (0.51) ABL1MAP4K1CYP3A4IGF1RTNIK
SCHEMBL12342977 0.73 CYP3A4 (0.62) ABL1MAP4K1NCOA1NCOA3CYP3A4
SCHEMBL2112405 0.73 ABL1 (0.49) ABL1MAP4K1CYP3A4IGF1RFYN
SCHEMBL2600638 0.72 PIM1 (0.36) MAP4K1

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-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 ABL1 862/4885MAP4K1 16/4885NCOA1 1469/4885

“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.