SCHEMBL22857098

SCHEMBL22857098

CCC(C)N1CCC(C)(N2CCCC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 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
SCHEMBL22857097 0.84 PIK3CD (0.37) PIK3CDLMNABRD4BRD2ALDH1A1
SCHEMBL25157210 0.76 BRD4 (0.43) PIK3CDLMNACA12CA1CA2
SCHEMBL2999035 0.75 BRD4 (0.41) PIK3CDLMNACA12CA1CA2
SCHEMBL20158443 0.70 CCR5 (0.31)
SCHEMBL25157105 0.70 ALDH1A1 (0.41) PIK3CDBRD4BRD2ALDH1A1
SCHEMBL24749998 0.69 AR (0.39) BRD4BRD2ALDH1A1
SCHEMBL23473512 0.68 KDM4E (0.33) KDM4E
SCHEMBL20965416 0.68 OPRM1 (0.40) PIK3CDLMNACA12CA1CA2
SCHEMBL13259747 0.68 LMNA (0.58) PIK3CDLMNACA12CA1CA2
SCHEMBL275373 0.68 LMNA (0.58) PIK3CDLMNACA12CA1CA2

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 PIK3CD 1807/4885LMNA 1968/4885CA12 4155/4885

“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.