SCHEMBL21158717

SCHEMBL21158717

CC(C)c1cc(CN2C3CC2CN(C)C3)no1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
EPHX2 P34913 1/20 0.34
SMYD3 Q9H7B4 4/20 0.34
SCD5 Q86SK9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
SCN9A Q15858 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 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
SCHEMBL20149625 0.87 RET (0.39) RETEPHX2SCD5SMN1; SMN2NPC1
SCHEMBL20071346 0.87 RET (0.39) RETEPHX2SCD5SMN1; SMN2NPC1
SCHEMBL20148691 0.85 RET (0.42) RETEPHX2SCD5SMN1; SMN2S1PR1
SCHEMBL20070541 0.82 MAPT (0.42) RETEPHX2
SCHEMBL20149614 0.72 MAPT (0.40) RETEPHX2
SCHEMBL20070423 0.69 RET (0.38) RET
SCHEMBL21158902 0.69 MAPT (0.41) RETEPHX2
SCHEMBL22031280 0.68 RET (0.37) RET
SCHEMBL22031230 0.68 CYP2C9 (0.42) RETTSHR
SCHEMBL22030860 0.67 RET (0.37) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed
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 1/4885EPHX2 2476/4885SMYD3 1818/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885EPHX2 2476/4885SMYD3 1818/4885

“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.