SCHEMBL1166243

SCHEMBL1166243

CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3cccc(F)c3)n2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.60
HCRTR1 O43613 3/20 0.60
FPR2 P25090 2/20 0.55
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1166694 0.91 HCRTR2 (0.72) HCRTR2HCRTR1FPR2
SCHEMBL1166019 0.91 HCRTR2 (0.61) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1166206 0.90 HCRTR2 (0.60) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1167339 0.90 HCRTR2 (0.60) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1167410 0.90 FPR2 (0.56) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1166987 0.90 FPR2 (0.68) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1166934 0.90 HCRTR2 (0.58) HCRTR2HCRTR1FPR2KDM4EMAPT
SCHEMBL27847092 0.89 HCRTR2 (0.59) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1167025 0.89 HCRTR2 (0.58) HCRTR2HCRTR1FPR2KDM4ESMN1; SMN2
SCHEMBL1166578 0.89 HCRTR2 (0.58) HCRTR2HCRTR1FPR2KDM4ETP53

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 2862/4885FPR2 1074/4885

“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.