SCHEMBL20148679

SCHEMBL20148679

COc1cnc(CN2C3CC2CN(C(C)(C)C)C3)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 0.43
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
GSK3B P49841 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
CCDC6 Q16204 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL22812015 0.85 RET (0.41) RETCHRNB2CHRNA4SIRT6
SCHEMBL20148686 0.83 RET (0.39) RETCHRNB2CHRNA4
SCHEMBL21158878 0.83 RET (0.40) RETCHRNB2CHRNA4SIRT6
SCHEMBL20070525 0.82 RET (0.43) RETCCNE1CDK2CHRNB2CHRNA4
SCHEMBL20148646 0.81 RET (0.46) RETCHRNB2CHRNA4CCDC6CRBN
SCHEMBL20148629 0.81 RET (0.45) RET
SCHEMBL20148654 0.79 RET (0.47) RETCCDC6CRBNKDR
SCHEMBL20148628 0.78 RET (0.43) RET
SCHEMBL22516686 0.77 RET (0.49) RET
SCHEMBL20148666 0.76 RET (0.41) RETCCDC6CRBNKDR

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
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
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 1/4885CCNE1 1488/4885CDK2 284/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CCNE1 1488/4885CDK2 284/4885

“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.