SCHEMBL5458513

SCHEMBL5458513

CN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 4/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
ALOX12 P18054 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5458504 1.00 MAPK14 (0.48) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL3442071 0.83 MAPT (0.39) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL3442069 0.83 MAPT (0.39) TDP1CYP1A2CYP2C19POLBMEN1
SCHEMBL5459581 0.83 TDP1 (0.42) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5459574 0.83 TDP1 (0.42) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5452149 0.80 TDP1 (0.40) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5452145 0.80 TDP1 (0.40) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5386626 0.80 EGFR (0.46) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5386624 0.80 EGFR (0.46) MAPK14TDP1CYP1A2CYP2C19POLB
SCHEMBL5457485 0.80 TDP1 (0.39) MAPK14TDP1CYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP 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-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 MAPK14 2533/4885TDP1 3009/4885CYP1A2 11/4885

“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.