SCHEMBL1959447

SCHEMBL1959447

N#Cc1ccc(-c2ccn(-c3cccnc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.53
GRM5 P41594 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA5 P30532 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP11B1 P15538 3/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 3/20 0.42
NPY5R Q15761 1/20 0.42
VCP P55072 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27832191 0.86 CYP11B2 (0.56) CYP11B2GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL1959449 0.85 GRM5 (0.60) CYP11B2GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL27832171 0.80 GRM5 (0.62) CYP11B2GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL181939 0.77 MKNK1 (0.54) ALDH1A1
SCHEMBL28734542 0.75 ALDH1A1 (0.48) CYP11B2GRM5CYP11B1ALDH1A1LMNA
SCHEMBL1962415 0.75 CYP11B2 (0.49) CYP11B2CHRNB2CHRNA5CHRNA4CYP11B1
SCHEMBL27812580 0.74 CYP2A6 (0.51) CYP11B2GRM5CHRNB2CHRNA5CHRNA4
SCHEMBL6677484 0.73 ALDH1A1 (0.50) CHRNB2CHRNA5CHRNA4CYP19A1ALDH1A1
SCHEMBL17477103 0.72 NPC1 (0.47) NPY5RALDH1A1MAPTSMN1; SMN2CYP2A6
SCHEMBL20471578 0.71 AHR (0.47) CYP11B2GRM5CHRNB2CHRNA5CHRNA4

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 4 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
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US 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 528/4885GRM5 496/4885CHRNB2 2405/4885

“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.