SCHEMBL17398017

SCHEMBL17398017

COC(=O)C(C1CC1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.44
CA12 O43570 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.37
EPHX1 P07099 1/20 0.36
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 3/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL3538057 0.88 EPHX1 (0.52) CA14CA12THRBSMN1; SMN2TP53
SCHEMBL9846853 0.88 EPHX1 (0.52) CA14CA12THRBSMN1; SMN2TP53
SCHEMBL27926754 0.79 THRB (0.55) CA14THRBSMN1; SMN2TP53SLC6A3
SCHEMBL13616798 0.77
SCHEMBL1485389 0.77
SCHEMBL12534071 0.77
SCHEMBL1631394 0.75
SCHEMBL15382545 0.75
SCHEMBL1694458 0.75
SCHEMBL15618893 0.75

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
US-20240109898-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVES, COMPOSITIONS AND PHARMACEUTICAL USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-04-04 US disclosed
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 EP disclosed
WO-2016001341-A1 SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-01-07 WO disclosed
WO-2016001341-A1 SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-01-07 WO 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-20240109898-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVES, COMPOSITIONS AND PHARMACEUTICAL USES THEREOF CDK9, CDK19, CDK7 CA14 4412/4885CA12 4723/4885THRB 3275/4885

“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.