SCHEMBL22857055

SCHEMBL22857055

CCN1CCC(C)(NC(=O)NCC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
EPHX1 P07099 4/20 0.37
EPHX2 P34913 4/20 0.37
RET P07949 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.34
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL20068864 0.84 CYP2C19 (0.44) KDM4EEPHX1EPHX2RETCYP2D6
SCHEMBL20147679 0.83 EPHX1 (0.37) KDM4EEPHX1EPHX2RETCYP2D6
SCHEMBL21651968 0.78 KDM4E (0.49) KDM4EEPHX1RETCYP2D6CYP2C19
SCHEMBL20068982 0.75 KDM4E (0.44) KDM4EEPHX1EPHX2RETCYP2D6
SCHEMBL16306650 0.75 DRD2 (0.46) KDM4EEPHX1EPHX2POLBMMP1
SCHEMBL20147677 0.74 RET (0.43) KDM4EEPHX1EPHX2RETTP53
SCHEMBL22857037 0.74 RET (0.37) KDM4EEPHX1EPHX2RETCYP2D6
SCHEMBL20147974 0.74 CYP2D6 (0.41) KDM4EEPHX1EPHX2CYP2D6MMP1
SCHEMBL13423615 0.72 CYP2D6 (0.45) KDM4EEPHX1EPHX2CYP2D6CYP2C19
SCHEMBL18389973 0.69 KDM4E (0.65) KDM4ECYP2D6CYP2C19HSD17B10POLB

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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 KDM4E 547/4885EPHX1 1481/4885EPHX2 2451/4885

“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.