SCHEMBL2600639

SCHEMBL2600639

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.35
MAPK1 P28482 3/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KCNA5 P22460 1/20 0.31
CTSL P07711 1/20 0.31
CTSK P43235 1/20 0.31
CNR1 P21554 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
HPGD P15428 1/20 0.31
KDR P35968 1/20 0.31
FYN P06241 1/20 0.30
HTR2B P41595 1/20 0.30
PDE4D Q08499 1/20 0.30
NR4A2 P43354 1/20 0.30
ABL1 P00519 1/20 0.30
SMO Q99835 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
SCHEMBL2600638 0.89 PIM1 (0.36) MAP4K1PIM1
SCHEMBL2600637 0.88 ABL1 (0.41) MAP4K1FYNABL1
SCHEMBL2600670 0.85 MAP4K1 (0.42) MAP4K1PIM1KDRFYNABL1
SCHEMBL2113210 0.83 ABL1 (0.45) MAP4K1KCNA5FYNABL1
SCHEMBL2112212 0.80 MAP4K1 (0.41) MAP4K1ABL1
SCHEMBL2600632 0.78 MAP4K1 (0.40) MAP4K1PIM1PIM3PIM2KDR
SCHEMBL2113615 0.77 ABL1 (0.52) MAP4K1ABL1
SCHEMBL2600653 0.76 MAP4K1 (0.43) MAP4K1ABL1
SCHEMBL2600644 0.75 MAP4K1 (0.39) MAP4K1PIM1PIM3PIM2KDR
SCHEMBL2112218 0.74 MAP4K1 (0.39) MAP4K1MAPK1KCNA5ABL1

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 5 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-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 MAP4K1 16/4885MAPK1 112/4885PIM1 568/4885

“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.