SCHEMBL5577940

SCHEMBL5577940

NC(=O)n1nc(-n2cnnc2-c2ccccc2Cl)c2s[c]nc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SCN9A Q15858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 4/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 2/20 0.32
PIK3CA P42336 1/20 0.31
MAOA P21397 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5577962 0.82 SCN9A (0.32) ALDH1A1SCN9AKDM4EKMT2AMEN1
SCHEMBL5577963 0.82 GPBAR1 (0.35) ALDH1A1SCN9AKDM4EP2RX7KMT2A
SCHEMBL5578052 0.70
SCHEMBL3501106 0.67 POLB (0.36) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL4753920 0.67 GRIN1 (0.39) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL5577939 0.67 HSD11B1 (0.36) ALDH1A1KDM4EHSD11B1LMNANPC1
SCHEMBL4752791 0.63
SCHEMBL5578043 0.62
SCHEMBL5577941 0.62 HSD11B1 (0.40) ALDH1A1KDM4EHSD11B1LMNANPC1
SCHEMBL4020818 0.58 MAPK14 (0.38) ALDH1A1SCN9AHSD11B1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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 (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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 ALDH1A1 3700/4885SCN9A 3587/4885KDM4E 1377/4885

“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.