SCHEMBL20147972

SCHEMBL20147972

CCN1CCN(CC2(NC(=O)OCC3CC3)CCN(C(C)S)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.35
KDM4E B2RXH2 1/20 0.32
CHRM3 P20309 2/20 0.32
BCHE P06276 2/20 0.32
MAOB P27338 1/20 0.32
ACHE P22303 1/20 0.31
EPHX1 P07099 2/20 0.31
EPHX2 P34913 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
SCHEMBL20147481 0.91 RET (0.36) RETKDM4ECHRM3BCHEMAOB
SCHEMBL20069701 0.85 RET (0.37) RETCHRM3EPHX1EPHX2
SCHEMBL20147477 0.79 RET (0.41) RETKDM4E
SCHEMBL20147478 0.77 RET (0.35) RETKDM4ECHRM3
SCHEMBL20147480 0.76 RET (0.39) RETKDM4EEPHX1
SCHEMBL25503147 0.76 RET (0.32) RETEPHX1
SCHEMBL25503151 0.76 RET (0.30) RET
SCHEMBL20147482 0.74 RET (0.44) RET
SCHEMBL20206011 0.73 RET (0.41) RETCHRM3BCHEMAOBACHE
SCHEMBL20147506 0.73 EPHX1 (0.47) RETKDM4EEPHX1EPHX2

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885KDM4E 547/4885CHRM3 2379/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KDM4E 547/4885CHRM3 2379/4885

“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.