SCHEMBL21159010

SCHEMBL21159010

O=C(OC1CCOC1)N1C2CC1CN(SS)C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.34
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CTSL P07711 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL21159102 0.92 RET (0.33) RETTYK2JAK3
SCHEMBL23555165 0.82 RET (0.38) RETTYK2JAK3CTSLGPR119
SCHEMBL20153224 0.80 RET (0.37) RETTYK2JAK3CTSLGPR119
SCHEMBL20154607 0.78 RET (0.40) RETTYK2JAK3GPR119
SCHEMBL23126245 0.77 RET (0.36) RETTYK2JAK3CTSLGPR119
SCHEMBL24785486 0.77 HTR3A (0.34) RETTYK2JAK3CTSLGPR119
SCHEMBL13034559 0.74 JAK3 (0.38) RETTYK2JAK3CTSLGPR119
SCHEMBL20153223 0.73 RET (0.36) RETTYK2JAK3GPR119
SCHEMBL12988305 0.71 JAK3 (0.35) RETTYK2JAK3CTSLGPR119
SCHEMBL20148740 0.70 HRH3 (0.41) RETTYK2JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885TYK2 217/4885JAK3 45/4885

“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.