SCHEMBL21652012

SCHEMBL21652012

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.39
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
EPHX1 P07099 1/20 0.30
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
SCHEMBL20069696 0.85 RET (0.41) RETMEN1CYP2D6CYP2C19KMT2A
SCHEMBL20147476 0.84 RET (0.40) RETMEN1CYP2D6CYP2C19KMT2A
SCHEMBL21651986 0.84 RET (0.42) RETMEN1KMT2A
SCHEMBL20069726 0.75 RET (0.42) RETMEN1CYP2D6CYP2C19KMT2A
SCHEMBL20147512 0.74 RET (0.42) RETMEN1CYP2D6CYP2C19KMT2A
SCHEMBL24179723 0.72 OPRL1 (0.33) RETKDM4E
SCHEMBL20147963 0.72 KDM4E (0.43) RETKDM4E
SCHEMBL20201375 0.72 SIGMAR1 (0.36) RETMEN1CYP2C19KMT2AKDM4E
SCHEMBL20147479 0.71 CTSL (0.35) RET
SCHEMBL25503147 0.70 RET (0.32) RETEPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (2 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885MEN1 653/4885CYP2D6 3759/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885MEN1 653/4885CYP2D6 3759/4885

“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.