SCHEMBL2758643

SCHEMBL2758643

[C-]#[N+]C/C(C#N)=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 4/20 0.32
RAPGEF4 Q8WZA2 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
GFER P55789 1/20 0.30
PTK2B Q14289 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
SCHEMBL5743661 0.83 GAA (0.37) RAPGEF3RAPGEF4SMN1; SMN2MAPTTDP1
SCHEMBL3326397 0.83 GAA (0.37) RAPGEF3RAPGEF4SMN1; SMN2MAPTTDP1
SCHEMBL9192973 0.77 ABCB1 (0.45) RAPGEF3RAPGEF4MAPTMEN1CYP3A4
SCHEMBL6258551 0.75 RAPGEF3 (0.38) RAPGEF3RAPGEF4SMN1; SMN2MAPTTDP1
SCHEMBL6576619 0.71 GAA (0.31) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL7744122 0.70 NPSR1 (0.43) RAPGEF3RAPGEF4SMN1; SMN2MAPTMEN1
SCHEMBL7744125 0.70 NPSR1 (0.43) RAPGEF3RAPGEF4SMN1; SMN2MAPTMEN1
SCHEMBL5713376 0.69 GAA (0.35) RAPGEF4MAPTKMT2AGAAKDM4E
SCHEMBL6576612 0.69 KDM4E (0.31) SMN1; SMN2MAPTGAAKDM4EALDH1A1
SCHEMBL7736233 0.68 RAPGEF3 (0.38) RAPGEF3RAPGEF4SMN1; SMN2MAPTKDM4E

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-8288563-B2 Process for the preparation of pyrazole derivatives BASF SE (DE) 2012-10-16 US disclosed
US-20120004421-A1 Process for the preparation of pyrazole derivatives BASF SE (DE) 2012-01-05 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-20120004421-A1 Process for the preparation of pyrazole derivatives CBR3, CBR1, C1S RAPGEF3 2533/4885RAPGEF4 3768/4885SMN1; SMN2 4065/4885

“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.