SCHEMBL6965080

SCHEMBL6965080

N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.47
GABRD O14764 4/20 0.47
GABRA1 P14867 4/20 0.47
GABRB1 P18505 4/20 0.47
GABRG2 P18507 4/20 0.47
GABRB3 P28472 4/20 0.47
GABRA5 P31644 4/20 0.47
GABRA3 P34903 4/20 0.47
GABRA2 P47869 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRA4 P48169 4/20 0.47
GABRE P78334 4/20 0.47
GABRA6 Q16445 4/20 0.47
GABRG1 Q8N1C3 4/20 0.47
GABRG3 Q99928 4/20 0.47
GABRQ Q9UN88 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2009558 0.83 SMN1; SMN2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2001805 0.83 GABRA2 (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6947827 0.81 SMN1; SMN2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7028559 0.80 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1378695 0.79 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1378693 0.79 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7025093 0.79 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2004433 0.77 L3MBTL1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6475236 0.77 KDM4E (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6965005 0.77 ALDH1A1 (0.45) SMN1; SMN2LMNAGAAPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933363-B1 Parasiticidal pyrazoles PFIZER LTD (GB) 2003-08-27 EP disclosed
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
US-20020173662-A1 Parasiticidal pyrazoles BANKS BERNARD JOSEPH (GB) 2002-11-21 US disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6090394-A FOR HUMANS, ANIMALS PFIZER INC. (US) 2000-07-18 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed
US-6019986-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-02-01 US disclosed
EP-0933363-A1 Parasiticidal pyrazoles Pfizer Limited (GB) 1999-08-04 EP 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-20020173662-A1 Parasiticidal pyrazoles HRH3, HRH2, HRH1 GABRP 799/4885GABRD 1289/4885GABRA1 399/4885

“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.