SCHEMBL1962415

SCHEMBL1962415

N#Cc1ccc(-c2nn(-c3cccnc3)cc2I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.49
CHRNB2 P17787 2/20 0.43
CHRNA5 P30532 2/20 0.43
CHRNA4 P43681 2/20 0.43
TSHR P16473 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 2/20 0.40
NPY5R Q15761 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AR P10275 1/20 0.38
MAPK1 P28482 1/20 0.36
VCP P55072 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL1962703 0.76 FAAH (0.68) CYP11B2CHRNB2CHRNA5CHRNA4TSHR
SCHEMBL1959447 0.75 CYP11B2 (0.53) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL1959026 0.74 FAAH (0.52) CYP11B2CHRNB2CHRNA5CHRNA4CYP19A1
SCHEMBL1680266 0.70 CYP2A6 (0.49) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL20356849 0.70 CYP2A6 (0.45) CHRNB2CHRNA5CHRNA4GSK3AGSK3B
SCHEMBL2689301 0.70 CYP2A6 (0.45) CHRNB2CHRNA5CHRNA4GAANPC1
SCHEMBL22795878 0.69 PTGS2 (0.57) TSHRGAANPC1RAB9A
SCHEMBL27812580 0.68 CYP2A6 (0.51) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL6886740 0.68 AR (0.52) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL30712752 0.67 CYP11B2 (1.00) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 CYP11B2 528/4885CHRNB2 2405/4885CHRNA5 504/4885

“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.