SCHEMBL20158570

SCHEMBL20158570

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.50
CYP46A1 Q9Y6A2 3/20 0.39
SHMT2 P34897 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
DPP4 P27487 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL21651973 0.90 RET (0.49) RETCYP46A1SHMT2CYP1A2CYP2D6
SCHEMBL25502453 0.89 RET (0.51) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL20069627 0.87 RET (0.52) RETCYP46A1CYP1A2CYP2D6MAPT
SCHEMBL20147868 0.86 RET (0.47) RETCYP46A1SHMT2CYP1A2CYP2D6
SCHEMBL20069459 0.85 RET (0.51) RETCYP46A1SHMT2TP53
SCHEMBL20158569 0.81 RET (0.51) RETCYP46A1CYP1A2CYP2D6MAPT
SCHEMBL25502455 0.81 RET (0.51) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL20206049 0.80 RET (0.49) RETCYP1A2CYP2D6MAPTTSHR
SCHEMBL22857003 0.80 RET (0.49) RETCYP46A1SHMT2CYP1A2CYP2D6
SCHEMBL20158574 0.80 RET (0.49) RETCYP46A1CYP1A2CYP2D6MAPT

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 1/4885CYP46A1 4055/4885SHMT2 4295/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CYP46A1 4055/4885SHMT2 4295/4885

“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.