SCHEMBL21158877

SCHEMBL21158877

COc1ccc(CN2C3CC2CN(C)C3)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.42
CD274 Q9NZQ7 13/20 0.37
PDCD1LG2 Q9BQ51 12/20 0.37
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDCD1 Q15116 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33

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
SCHEMBL23126192 0.87 RET (0.41) RETCD274PDCD1LG2POLBTDP1
SCHEMBL22031278 0.86 RET (0.34) RETCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20148650 0.86 RET (0.44) RETCD274PDCD1LG2POLBTDP1
SCHEMBL20070543 0.86 RET (0.41) RETCD274PDCD1LG2POLBTDP1
SCHEMBL20070735 0.77 RET (0.45) RETCD274PDCD1
SCHEMBL18390576 0.74 PDCD1LG2 (0.46) RETCD274PDCD1LG2POLBTDP1
SCHEMBL18390927 0.74 RET (0.48) RETCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22812097 0.73 PDE10A (0.33) RETCHRNB2CHRNA4
SCHEMBL20070794 0.73 PDE10A (0.34) RETCHRNB2CHRNA4
SCHEMBL20148683 0.73 RET (0.36) RETCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed
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 RET 1/4885CD274 2514/4885PDCD1LG2 1658/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CD274 2514/4885PDCD1LG2 1658/4885

“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.