SCHEMBL1166245

SCHEMBL1166245

CCc1nc(C(=O)Nc2cnn(Cc3ccc(C(C)=O)o3)c2)c(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.60
▸ HCRTR1 O43613 3/20 0.60
▸ SCD O00767 7/20 0.44
▸ SCD5 Q86SK9 7/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ITK Q08881 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL1166335 0.92 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166907 0.92 HCRTR2 (0.59) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166674 0.91 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166508 0.90 HCRTR2 (0.59) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166992 0.89 HCRTR2 (0.64) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166600 0.87 HCRTR2 (0.59) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1166994 0.86 HCRTR2 (0.53) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1167232 0.85 HCRTR2 (0.58) HCRTR2HCRTR1SCDSCD5SMN1; SMN2
SCHEMBL1167020 0.84 HCRTR2 (0.82) HCRTR2HCRTR1
SCHEMBL1166400 0.84 HCRTR2 (0.67) HCRTR2HCRTR1SCDSCD5SMN1; SMN2

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 2862/4885SCD 4685/4885

“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.

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