SCHEMBL20970519

SCHEMBL20970519

O=C(NCC(F)(F)F)C1CCN(S)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 7/20 0.42
JAK1 P23458 7/20 0.42
JAK3 P52333 7/20 0.42
ACKR3 P25106 1/20 0.41
CACNA1G O43497 4/20 0.37
TYK2 P29597 1/20 0.37
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2585149 0.83 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL22299275 0.83 JAK2 (0.45) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL18390136 0.83 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL25197889 0.81 JAK1 (0.44) HSD17B10SMN1; SMN2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL15826105 0.81 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL24081331 0.80 JAK1 (0.46) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL14808770 0.80 SMN1; SMN2 (0.66) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL18713001 0.79 HSD17B10 (0.44) HSD17B10SMN1; SMN2JAK2JAK1JAK3
SCHEMBL14842997 0.78 SMN1; SMN2 (0.63) HSD17B10SMN1; SMN2
SCHEMBL24081343 0.77 JAK2 (0.44) HSD17B10SMN1; SMN2JAK2JAK1JAK3

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HSD17B10 3963/4885SMN1; SMN2 989/4885JAK2 67/4885

“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.