SCHEMBL20158528

SCHEMBL20158528

CCN1CCOC(CC(=O)NC2(Cc3cccc(CC(C)N4CCC(Cc5ccccn5)(N(C)C)CC4)n3)CCN(C(C)C)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.48
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC5A7 Q9GZV3 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
SCHEMBL20070186 0.88 RET (0.55) RETCYP3A4CYP2D6SLC5A7
SCHEMBL20205876 0.81 RET (0.57) RET
SCHEMBL20147913 0.73 RET (0.54) RETCYP3A4CYP2D6SLC5A7
SCHEMBL20158630 0.70 RET (0.50) RET
SCHEMBL20158526 0.70 RET (0.48) RETCYP3A4CYP2D6SLC5A7
SCHEMBL20147391 0.69 CYP2D6 (0.42) RETCYP2D6
SCHEMBL20147867 0.69 RET (0.51) RET
SCHEMBL20158529 0.69 RET (0.50) RETCYP3A4CYP2D6SLC5A7
SCHEMBL20147373 0.68 CCR2 (0.36) RET
SCHEMBL20147953 0.67 RET (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885CYP3A4 3760/4885CYP2D6 3759/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CYP3A4 3760/4885CYP2D6 3759/4885

“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.