SCHEMBL20158529

SCHEMBL20158529

CC(C)N1CCC(Cc2ccccn2)(NC(=O)CC2CNC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.50
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC5A7 Q9GZV3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MC4R P32245 2/20 0.36
HTR2A P28223 1/20 0.35
HTR4 Q13639 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL20070177 0.89 RET (0.52) RETHPGDRECQLCYP3A4CYP2D6
SCHEMBL20147912 0.87 RET (0.50) RETHPGDRECQLALDH1A1MEN1
SCHEMBL22857062 0.86 RET (0.50) RETHPGDRECQLCYP2D6ALDH1A1
SCHEMBL20147913 0.84 RET (0.54) RETCYP3A4CYP2D6SLC5A7MC4R
SCHEMBL20158526 0.81 RET (0.48) RETCYP3A4CYP2D6SLC5A7ALDH1A1
SCHEMBL21651973 0.80 RET (0.49) RETCYP3A4CYP2D6SLC5A7ALDH1A1
SCHEMBL20147953 0.80 RET (0.49) RETALDH1A1NPC1MEN1KMT2A
SCHEMBL25502428 0.78 RET (0.51) RETCYP3A4CYP2D6SLC5A7ALDH1A1
SCHEMBL25502455 0.78 RET (0.51) RETCYP3A4CYP2D6SLC5A7ALDH1A1
SCHEMBL20069464 0.78 RET (0.49) RETCYP3A4CYP2D6SLC5A7ALDH1A1

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 1/4885HPGD 3857/4885RECQL 627/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HPGD 3857/4885RECQL 627/4885

“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.