SCHEMBL22857085

SCHEMBL22857085

CCN1CCC(CN(C)C)(NC(=O)CC2(OC)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.44
ADAM17 P78536 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20069708 0.87 RET (0.43) RETADAM17
SCHEMBL20152059 0.84 RET (0.42) RETMMP1MMP9MMP13KDM4E
SCHEMBL21651959 0.73 RET (0.43) RETKMT2AOPRM1OPRD1OPRK1
SCHEMBL20158755 0.72 RET (0.41) RETMEN1KMT2AKDM4EALDH1A1
SCHEMBL18361892 0.65 LMNA (0.33)
SCHEMBL20069525 0.63 RET (0.41) RETADAM17ALDH1A1
SCHEMBL20069719 0.62 RET (0.41) RETADAM17OPRM1KDM4E
SCHEMBL20147486 0.62 RET (0.41) RETADAM17
SCHEMBL21776122 0.62 MMP1 (0.32) MMP1MMP9MMP13OPRM1OPRD1
SCHEMBL12618705 0.62 KDM4E (0.42) KMT2AOPRM1OPRD1OPRK1KDM4E

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 1/4885ADAM17 4598/4885MEN1 653/4885

“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.