SCHEMBL4394719

SCHEMBL4394719

C=CCSCCNc1ccnn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.46
CYP2C8 P10632 4/20 0.46
NTRK1 P04629 3/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2C18 P33260 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 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
SCHEMBL4255883 0.79 CYP2C9 (0.52) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL4394717 0.73 CYP2C9 (0.45) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL9453146 0.71 SOAT1 (0.58) CYP2C9CYP2C19CYP2C18POLBLMNA
Propylamine SCHEMBL11088977 0.70 CYP2C9 (0.44) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL11086699 0.70 SOAT1 (0.60) CYP2C9CYP2C19LMNATSHRNFKB1
SCHEMBL14973857 0.67 CYP2C9 (0.48) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL7006506 0.66 CYP2C9 (0.57) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL11274691 0.66 CYP2C9 (0.57) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL20413716 0.65 CYP2C9 (0.46) CYP2C9CYP2C8NTRK1CYP2C19CYP2C18
SCHEMBL11226458 0.65 ALDH1A1 (0.59) CYP2C9NTRK1CYP2C19CYP2C18POLB

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 13 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 claimed
US-20080281107-A1 Process for the preparation of 5-alkylthioalkylamino-I-phenyl-pyrazoles MERIAL LIMITED 2008-11-13 US claimed
EP-1879869-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES Merial Limited (US) 2008-01-23 EP claimed
WO-2006119862-A1 PROCESS FOR THE PREPARATION OF 5-ALKYLTHIOALKYLAMINO-1-PHENYL-PYRAZOLES MERIAL LTD. (US) 2006-11-16 WO claimed
US-20090069571-A1 Process for the Preparation of 5-Alkylthioalkylamino-I-Phenyl-Pyrazoles MERIAL LIMITED 2009-03-12 US disclosed
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
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
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
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 CYP2C9 13/4885CYP2C8 42/4885NTRK1 2494/4885
US-20090069571-A1 Process for the Preparation of 5-Alkylthioalkylamino-I-Phenyl-Pyrazoles CYP3A5, CYP1A1, CYP3A4 CYP2C9 13/4885CYP2C8 42/4885NTRK1 2494/4885

“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.