SCHEMBL1166845

SCHEMBL1166845

COCc1nc(C(=O)Nc2ccn(Cc3ccc(C(C)=O)o3)n2)c(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.50
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1166299 0.92 FPR2 (0.51) FPR2GAATSHRMEN1KMT2A
SCHEMBL1167537 0.90 FPR2 (0.51) FPR2GAATSHRMEN1KMT2A
SCHEMBL1166650 0.90 FPR2 (0.51) FPR2GAATSHRMEN1KMT2A
SCHEMBL27828445 0.88 FPR2 (0.50) FPR2GAATSHRMEN1KMT2A
SCHEMBL1166747 0.87 FPR2 (0.49) FPR2GAATSHRMEN1KMT2A
SCHEMBL1166301 0.87 FPR2 (0.51) FPR2GAATSHRMEN1KMT2A
SCHEMBL2327618 0.86 FPR2 (0.53) FPR2HCRTR1HCRTR2
SCHEMBL1166425 0.85 FPR2 (0.46) FPR2GAATSHRMEN1KMT2A
SCHEMBL1167224 0.85 FPR2 (0.46) FPR2GAATSHRMEN1KMT2A
SCHEMBL1166430 0.84 FPR2 (0.49) FPR2GAATSHRMEN1KMT2A

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 FPR2 1074/4885GAA 2359/4885TSHR 2130/4885

“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.