SCHEMBL22857092

SCHEMBL22857092

CCN1CCC(C)(C(=O)NCC2CCCOC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
MAPK1 P28482 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 5/20 0.36
HSD11B1 P28845 1/20 0.36
MGLL Q99685 1/20 0.33
DRD2 P14416 2/20 0.33
GABRA5 P31644 1/20 0.33
PRMT1 Q99873 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 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
SCHEMBL20069154 0.88 RET (0.41) RETMAPK1ALDH1A1NAMPTGABRA5
SCHEMBL20158595 0.86 RET (0.41) RETMAPK1ALDH1A1NAMPTMGLL
SCHEMBL21651972 0.84 RET (0.40) RETMAPK1NAMPTMGLLGABRA5
SCHEMBL22857026 0.80 KDM4E (0.57) ALDH1A1KDM4E
SCHEMBL9185 0.71 HPGD (0.42) MAPK1EPHX1NAMPT
SCHEMBL20069680 0.71 RET (0.38) RETMAPK1ALDH1A1KDM4ENAMPT
SCHEMBL15492739 0.71 NAMPT (0.43) MAPK1EPHX1NAMPTGABRA5KCNH2
SCHEMBL19198339 0.70 EPHX1 (0.44) EPHX1ALDH1A1KDM4EKCNH2CACNA1I
SCHEMBL18377462 0.70 CYP3A4 (0.42) MAPK1EPHX1ALDH1A1KDM4E
SCHEMBL20069779 0.68 CYP3A4 (0.44) RETEPHX1EPHX2ALDH1A1KDM4E

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 RET 1/4885MAPK1 65/4885EPHX1 1481/4885

“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.