SCHEMBL21652055

SCHEMBL21652055

CCN1CCC(CN2CC(F)(F)C2)(C(=O)NCC(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 17/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20069804 0.88 RET (0.42) RETKDM4ECYP2D6CYP2C19
SCHEMBL22856993 0.87 RET (0.41) RETKDM4ECYP2D6CYP2C19
SCHEMBL20147964 0.85 RET (0.40) RETKDM4E
SCHEMBL20205985 0.84 RET (0.40) RET
SCHEMBL20069790 0.83 RET (0.43) RETKDM4ECYP2D6CYP2C19
SCHEMBL20069774 0.83 KDM4E (0.46) RETKDM4ECYP2D6CYP2C19
SCHEMBL20158491 0.82 RET (0.43) RETKDM4E
SCHEMBL20206000 0.82 KDM4E (0.45) RETKDM4ECYP2D6CYP2C19
SCHEMBL22857010 0.80 RET (0.46) RETKDM4E
SCHEMBL20158444 0.80 RET (0.46) RETKDM4E

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 1/4885KDM4E 547/4885CYP2D6 3759/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885KDM4E 547/4885CYP2D6 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.