SCHEMBL1166674

SCHEMBL1166674

COCc1nc(C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)c2)c(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.58
HCRTR1 O43613 2/20 0.58
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
SCD5 Q86SK9 7/20 0.43
SCD O00767 6/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
ITK Q08881 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
SCHEMBL1166508 0.93 HCRTR2 (0.59) HCRTR2HCRTR1POLBKDM4ECYP1A2
SCHEMBL1166245 0.91 HCRTR2 (0.60) HCRTR2HCRTR1POLBSCD5SCD
SCHEMBL1166907 0.90 HCRTR2 (0.59) HCRTR2HCRTR1SCD5SCDALDH1A1
SCHEMBL1166335 0.88 HCRTR2 (0.58) HCRTR2HCRTR1POLBSCD5SCD
SCHEMBL1166992 0.87 HCRTR2 (0.64) HCRTR2HCRTR1POLBSCD5SCD
SCHEMBL1166994 0.85 HCRTR2 (0.53) HCRTR2HCRTR1SCD5SCDALDH1A1
SCHEMBL1166600 0.85 HCRTR2 (0.59) HCRTR2HCRTR1POLBKDM4ECYP1A2
SCHEMBL1166845 0.84 FPR2 (0.50) HCRTR2HCRTR1KDM4ECYP1A2CYP3A4
SCHEMBL2327618 0.84 FPR2 (0.53) HCRTR2HCRTR1
SCHEMBL1167232 0.83 HCRTR2 (0.58) HCRTR2HCRTR1KDM4ESCD5SCD

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
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCRTR2 2700/4885HCRTR1 2862/4885POLB 2932/4885

“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.