SCHEMBL5034288

SCHEMBL5034288

O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F)C1(CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
EGFR P00533 1/20 0.32
SNCA P37840 3/20 0.32
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL5027587 0.89 ENPP2 (0.33) ENPP2MAPK1
SCHEMBL5027588 0.89 ENPP2 (0.33) ENPP2MAPK1
SCHEMBL4149688 0.87 SCN9A (0.32) ENPP2MAPK1
SCHEMBL4149686 0.87 SCN9A (0.32) ENPP2MAPK1
SCHEMBL5032336 0.84 KDM4E (0.40) ENPP2EGFRSNCAMEN1KMT2A
SCHEMBL5032332 0.84 KDM4E (0.40) ENPP2EGFRSNCAMEN1KMT2A
SCHEMBL4158790 0.77 NFE2L2 (0.37) EGFRSNCAKDRMEN1KMT2A
SCHEMBL4158795 0.77 NFE2L2 (0.37) EGFRSNCAKDRMEN1KMT2A
SCHEMBL6428603 0.75 KDR (0.44) KDR
SCHEMBL5034304 0.74 AAK1 (0.43) MAPK1

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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ENPP2 3605/4885EGFR 991/4885SNCA 2130/4885

“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.