SCHEMBL2009558

SCHEMBL2009558

N#Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(N)c1C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
NR1I2 O75469 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6055773 0.84 GABRP (0.62) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL6965080 0.83 GABRP (0.47) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL2003318 0.80 ALDH1A1 (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2003316 0.80 ALDH1A1 (0.51) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL6947827 0.79 SMN1; SMN2 (0.45) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL6967407 0.77 GABRP (0.61) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL7028559 0.76 GABRP (0.42) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL1378695 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL1378693 0.75 SMN1; SMN2 (0.41) SMN1; SMN2LMNAGABRPGABRDGABRA1
SCHEMBL18393392 0.74 GABRA2 (0.65) SMN1; SMN2LMNAGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084486-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-12-27 US disclosed
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2011-08-11 US disclosed
US-7960426-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-06-14 US disclosed
US-7902232-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2011-03-08 US disclosed
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES ZOETIS SERVICES LLC 2009-05-28 US disclosed
US-7514464-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2009-04-07 US disclosed
EP-1705989-B8 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2009-03-25 EP disclosed
EP-1705989-B1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7435753-B2 Substituted arylpyrazoles PFIZER LIMITED (GB) 2008-10-14 US disclosed
EP-1705989-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS Pfizer Limited (GB) 2006-10-04 EP disclosed
US-20060014802-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2006-01-19 US disclosed
US-20050148649-A1 Substituted arylpyrazoles ZOETIS SERVICES LLC 2005-07-07 US disclosed
WO-2005060749-A1 SUBSTITUTED ARYLPYRAZOLES AS PARASITICIDAL AGENTS PFIZER LIMITED (GB) 2005-07-07 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 (5 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-20090137524-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 SMN1; SMN2 3800/4885LMNA 2843/4885GABRP 1847/4885
US-20110196011-A1 SUBSTITUTED ARYLPYRAZOLES CYP4X1, EPX, CYP2C9 SMN1; SMN2 3800/4885LMNA 2843/4885GABRP 1847/4885
US-20050148649-A1 Substituted arylpyrazoles CYP3A4, CYP4B1, CYP1B1 SMN1; SMN2 3170/4885LMNA 4311/4885GABRP 982/4885
US-20060014802-A1 Substituted arylpyrazoles CYP4X1, ARG1, CYP2C9 SMN1; SMN2 4228/4885LMNA 2451/4885GABRP 2045/4885
US-20090312371-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A43, CYP3A4, CYP4X1 SMN1; SMN2 2447/4885LMNA 4419/4885GABRP 675/4885

“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.