SCHEMBL3963848

SCHEMBL3963848

CSCCN(C)c1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.43
GABRA2 P47869 18/20 0.43
GABRB2 P47870 18/20 0.43
GABRP O00591 16/20 0.43
GABRD O14764 16/20 0.43
GABRA1 P14867 16/20 0.43
GABRB1 P18505 16/20 0.43
GABRG2 P18507 16/20 0.43
GABRA5 P31644 16/20 0.43
GABRA3 P34903 16/20 0.43
GABRA4 P48169 16/20 0.43
GABRE P78334 16/20 0.43
GABRA6 Q16445 16/20 0.43
GABRG1 Q8N1C3 16/20 0.43
GABRG3 Q99928 16/20 0.43
GABRQ Q9UN88 16/20 0.43
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL921378 0.94 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4082183 0.90 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3366234 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3367279 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055815 0.86 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL711450 0.85 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3975269 0.85 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055924 0.83 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL4415803 0.82 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9010483 0.80 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069571-A1 Process for the Preparation of 5-Alkylthioalkylamino-I-Phenyl-Pyrazoles MERIAL LIMITED 2009-03-12 US disclosed
EP-1879869-B1 PROCESS FOR THE PREPARATION OF PRECURSORS OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES MERIAL LTD (US) 2009-01-14 EP disclosed
US-20080281107-A1 Process for the preparation of 5-alkylthioalkylamino-I-phenyl-pyrazoles MERIAL LIMITED 2008-11-13 US disclosed
EP-1879869-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES Merial Limited (US) 2008-01-23 EP disclosed
WO-2006119862-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES MERIAL LTD. (US) 2006-11-16 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-20080281107-A1 Process for the preparation of 5-alkylthioalkylamino-I-phenyl-pyrazoles CYP3A5, CYP1A1, CYP3A4 GABRB3 1832/4885GABRA2 2050/4885GABRB2 2518/4885
US-20090069571-A1 Process for the Preparation of 5-Alkylthioalkylamino-I-Phenyl-Pyrazoles CYP3A5, CYP1A1, CYP3A4 GABRB3 1832/4885GABRA2 2050/4885GABRB2 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.