SCHEMBL20206087

SCHEMBL20206087

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.42
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 3/20 0.32
EPHX2 P34913 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL20068983 0.88 RET (0.42) RETKDM4EALDH1A1EPHX1EPHX2
SCHEMBL20147681 0.87 RET (0.42) RETKDM4EALDH1A1EPHX1EPHX2
SCHEMBL21651936 0.77 RET (0.40) RETALDH1A1EPHX1
SCHEMBL20158755 0.76 RET (0.41) RETKDM4EALDH1A1EPHX1EPHX2
SCHEMBL20068982 0.73 KDM4E (0.44) RETKDM4EEPHX1EPHX2
SCHEMBL20147677 0.72 RET (0.43) RETKDM4EEPHX1EPHX2
SCHEMBL20069696 0.71 RET (0.41) RETKDM4EEPHX1EPHX2HSD11B1
SCHEMBL20158493 0.71 RET (0.44) RET
SCHEMBL20147476 0.70 RET (0.40) RETKDM4EEPHX1EPHX2HSD11B1
SCHEMBL21651931 0.70 RET (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (1 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 1/4885KDM4E 547/4885ALDH1A1 2547/4885

“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.