SCHEMBL20148619

SCHEMBL20148619

Cc1cncc(CN2C3CC2CN(C(C)(C)C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.41
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
KAT2B Q92831 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 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
SCHEMBL20148644 0.85 RET (0.42) RETGRIN1GRIN2B
SCHEMBL20148661 0.85 RET (0.42) RETGRIN1GRIN2B
SCHEMBL22812010 0.84 RET (0.43) RETGABRA1GABRA5KAT2BCYP11B1
SCHEMBL20148637 0.83 RET (0.44) RETGRIN1GRIN2B
SCHEMBL20149593 0.81 RET (0.39) RETGABRA1GABRA5KAT2BCYP11B1
SCHEMBL22031274 0.81 RET (0.39) RETGABRA1GABRA5KAT2BCYP11B1
SCHEMBL20148621 0.78 RET (0.38) RET
SCHEMBL20148615 0.78 CHRNB2 (0.44) RETCYP11B1
SCHEMBL20148657 0.76 RET (0.46) RET
SCHEMBL20148620 0.75 RET (0.41) RETGABRA1GABRA5

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 1/4885GABRA1 2005/4885GABRA5 1955/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885GABRA1 2005/4885GABRA5 1955/4885

“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.