SCHEMBL1751008

SCHEMBL1751008

CN(C)/C=N/c1c(C2(C(=O)O)CC2)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 12/20 0.41
GABRD O14764 12/20 0.41
GABRA1 P14867 12/20 0.41
GABRB1 P18505 12/20 0.41
GABRG2 P18507 12/20 0.41
GABRB3 P28472 12/20 0.41
GABRA5 P31644 12/20 0.41
GABRA3 P34903 12/20 0.41
GABRA2 P47869 12/20 0.41
GABRB2 P47870 12/20 0.41
GABRA4 P48169 12/20 0.41
GABRE P78334 12/20 0.41
GABRA6 Q16445 12/20 0.41
GABRG1 Q8N1C3 12/20 0.41
GABRG3 Q99928 12/20 0.41
GABRQ Q9UN88 12/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1751009 1.00 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751761 0.93 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751763 0.93 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751511 0.92 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751512 0.92 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751820 0.92 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751819 0.92 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752382 0.91 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752383 0.91 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752284 0.89 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 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-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885

“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.