SCHEMBL20147863

SCHEMBL20147863

COc1cccc(CC2(O)CCN(SC)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
GRIN2B Q13224 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PKLR P30613 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.43
LMNA P02545 4/20 0.43

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
SCHEMBL25525962 0.84 TAAR1 (0.50) SIGMAR1GRIN2BMEN1KMT2AL3MBTL1
SCHEMBL20147389 0.83 LMNA (0.51) SIGMAR1GRIN2BMEN1KMT2AL3MBTL1
SCHEMBL5343612 0.80 MEN1 (0.50) SIGMAR1GRIN2BMEN1KMT2AHRH3
SCHEMBL20069604 0.78 SLC6A2 (0.49) SIGMAR1GRIN2B
SCHEMBL27597082 0.78 MEN1 (0.51) GRIN2BMEN1KMT2AL3MBTL1PKLR
Hydrochloric Acid SCHEMBL20138442 0.77 SLC6A2 (0.48) GRIN2B
SCHEMBL20137883 0.76 ROCK2 (0.49) GRIN2BMEN1KMT2AL3MBTL1PKLR
SCHEMBL3163183 0.69 TAAR1 (0.54) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL7842582 0.69 SLC6A2 (0.51) PKLRALDH1A1
SCHEMBL30601824 0.68 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 SIGMAR1 3807/4885GRIN2B 1206/4885MEN1 653/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SIGMAR1 3807/4885GRIN2B 1206/4885MEN1 653/4885

“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.