SCHEMBL20711874

SCHEMBL20711874

CCCC(CC)CSC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.31

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
SCHEMBL15270884 0.88 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRATM
SCHEMBL26052302 0.76
SCHEMBL22013954 0.75 CYP3A4 (0.32) TDP1CYP3A4TSHR
SCHEMBL16899612 0.72
SCHEMBL13431864 0.71 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRATM
SCHEMBL82932 0.71
SCHEMBL82509 0.71
SCHEMBL13364998 0.70 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL26010802 0.70 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL22655968 0.70 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRATM

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-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (2 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-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3753/4885TDP1 3099/4885CYP3A4 877/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3753/4885TDP1 3099/4885CYP3A4 877/4885

“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.