SCHEMBL21158902

SCHEMBL21158902

Cc1cc(CN2C3CC2CN(S)C3)no1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RET P07949 1/20 0.39
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
EPHX2 P34913 1/20 0.34
GRIN2B Q13224 8/20 0.33
GRIN1 Q05586 4/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
CHRNA4 P43681 2/20 0.33
PDE1C Q14123 2/20 0.32
PDE1B Q01064 1/20 0.32
PDE9A O76083 1/20 0.32
GRM2 Q14416 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
SCHEMBL20070541 0.86 MAPT (0.42) MAPTRECQLRETGABRA5GABRA1
SCHEMBL20149614 0.82 MAPT (0.40) MAPTRECQLRETGABRA5GABRA1
SCHEMBL20148638 0.82 RET (0.40) MAPTRECQLRETGABRA5GABRA1
SCHEMBL20353495 0.71 MAPT (0.45) MAPTRECQL
SCHEMBL21158717 0.69 RET (0.40) RETEPHX2
SCHEMBL20149625 0.68 RET (0.39) RETEPHX2
SCHEMBL20071346 0.68 RET (0.39) RETEPHX2
SCHEMBL171777 0.66
SCHEMBL22812255 0.66 RET (0.40) RET
SCHEMBL20070540 0.66 RET (0.42) RETGRIN2BGRIN1GRM2

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
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 (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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF MAPT 1769/4885RECQL 835/4885RET 1/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF MAPT 1769/4885RECQL 835/4885RET 1/4885

“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.