SCHEMBL20158569

SCHEMBL20158569

CC(O)C(N)C(=O)NC1(Cc2ccccn2)CCN(C(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.51
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
DPP4 P27487 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
PTPRA P18433 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
SCHEMBL25502455 0.94 RET (0.51) RETCYP2D6CYP3A4SLC5A7CYP1A2
SCHEMBL22857003 0.92 RET (0.49) RETCYP2D6CYP1A2MAPTTSHR
SCHEMBL21651973 0.91 RET (0.49) RETCYP2D6CYP3A4SLC5A7CYP1A2
SCHEMBL20147869 0.88 RET (0.49) RETCYP2D6CYP1A2MAPTTSHR
SCHEMBL20069464 0.87 RET (0.49) RETCYP2D6CYP3A4SLC5A7CYP1A2
SCHEMBL25502428 0.85 RET (0.51) RETCYP2D6CYP3A4SLC5A7CYP1A2
SCHEMBL20147399 0.84 RET (0.47) RETCYP2D6ALDH1A1DPP4KMT2A
SCHEMBL20158526 0.82 RET (0.48) RETCYP2D6CYP3A4SLC5A7ALDH1A1
SCHEMBL20158570 0.81 RET (0.50) RETCYP2D6CYP1A2MAPTTSHR
SCHEMBL20147868 0.81 RET (0.47) RETCYP2D6CYP1A2MAPTTSHR

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (3 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CYP2D6 3759/4885CYP3A4 3760/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885CYP2D6 3759/4885CYP3A4 3760/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CYP2D6 3759/4885CYP3A4 3760/4885

“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.