SCHEMBL174226

SCHEMBL174226

Cn1nc(C#N)cc1-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
EGLN2 Q96KS0 3/20 0.37
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
PTGS2 P35354 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PGR P06401 1/20 0.32
F2RL3 Q96RI0 2/20 0.31
CUL4A Q13619 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL175211 0.76 PDE4B (0.40) ALDH1A1HTTPDE4BPDE4DF2RL3
SCHEMBL1777434 0.75 ALDH1A1 (0.42) LMNAALDH1A1
SCHEMBL12181785 0.72 IL2 (0.50) LMNAHTT
SCHEMBL174784 0.72 F2RL3 (0.40) PDE4BPDE4DF2RL3
SCHEMBL12181641 0.71 IL2 (0.37) PTGS2LMNAPGR
SCHEMBL15862756 0.70 KMT2A (0.43) ALDH1A1HTT
SCHEMBL12155607 0.69 IL2 (0.46) ALDH1A1
SCHEMBL26820731 0.69 EED (0.33) ALDH1A1
SCHEMBL10256710 0.69 STIM1 (0.56)
SCHEMBL1232324 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (2 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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 AR 3667/4885EGLN2 2950/4885GABRA1 2518/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 AR 3667/4885EGLN2 2950/4885GABRA1 2518/4885

“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.