SCHEMBL20148644

SCHEMBL20148644

CC(C)(C)N1CC2CC(C1)N2Cc1cncc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.42
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
PDE2A O00408 1/20 0.35
GRIN1 Q05586 9/20 0.34
GRIN2B Q13224 9/20 0.34
TLR7 Q9NYK1 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20148619 0.85 RET (0.41) RETGRIN1GRIN2B
SCHEMBL20148661 0.84 RET (0.42) RETGRIN1GRIN2B
SCHEMBL20148637 0.82 RET (0.44) RETGRIN1GRIN2BCYP17A1CYP3A4
SCHEMBL20149601 0.81 RET (0.41) RETCHRM2CHRM4CHRM5PDE2A
SCHEMBL20148615 0.77 CHRNB2 (0.44) RET
SCHEMBL20148648 0.76 RET (0.49) RET
SCHEMBL20148645 0.76 RET (0.42) RETGRIN1GRIN2B
SCHEMBL24135037 0.75 GRIN1 (0.38) RETCHRM2CHRM4CHRM5PDE2A
SCHEMBL20148621 0.74 RET (0.38) RET
SCHEMBL20148694 0.73 RET (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CHRM2 3260/4885CHRM4 2527/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CHRM2 3260/4885CHRM4 2527/4885

“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.