SCHEMBL20148637

SCHEMBL20148637

COc1cncc(CN2C3CC2CN(C(C)(C)C)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.44
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRNB2 P17787 6/20 0.38
CHRNA4 P43681 6/20 0.38
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
CHRNA7 P36544 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
SCHEMBL20070539 0.85 RET (0.47) RETKDM1AMAOAMAOBCHRNB2
SCHEMBL20148619 0.83 RET (0.41) RETGRIN1GRIN2B
SCHEMBL20149597 0.82 RET (0.43) RETKDM1AMAOAMAOBCHRNB2
SCHEMBL20148644 0.82 RET (0.42) RETGRIN1GRIN2BCYP17A1CYP3A4
SCHEMBL20148661 0.82 RET (0.42) RETCHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL20148657 0.78 RET (0.46) RET
SCHEMBL20148666 0.77 RET (0.41) RET
SCHEMBL20148648 0.77 RET (0.49) RET
SCHEMBL20148627 0.77 RET (0.46) RET
SCHEMBL20148665 0.77 RET (0.47) RETGRIN1GRIN2B

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 1/4885KDM1A 998/4885MAOA 3390/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885KDM1A 998/4885MAOA 3390/4885

“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.