SCHEMBL20147339

SCHEMBL20147339

CC(C)N1CCC(C)(NC(=O)CC2CNCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SMYD3 Q9H7B4 1/20 0.32
RET P07949 9/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 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
SCHEMBL20147340 0.79 EPHX1 (0.34) SMYD3
SCHEMBL20147373 0.78 CCR2 (0.36) RETKCNH2
SCHEMBL20147913 0.77 RET (0.54) WNT1GSK3BDYRK1ARETCYP2D6
SCHEMBL20069718 0.74 EPHX1 (0.39) SMYD3RETCYP2D6KCNH2
SCHEMBL20069433 0.74 WNT1 (0.42) WNT1GSK3BDYRK1ARETSLC6A2
SCHEMBL2911480 0.71 WNT1 (0.41) WNT1GSK3BDYRK1ACYP1A2CYP2D6
SCHEMBL20147475 0.71 CCR1 (0.34) CYP2D6CYP2C9
SCHEMBL20147467 0.70 TP53 (0.38) RETCYP2C9CYP2C19
SCHEMBL20069438 0.69 EPHX1 (0.33) SMYD3
SCHEMBL20147357 0.69 KDM4E (0.48) CYP2C19

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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 WNT1 463/4885GSK3B 1129/4885DYRK1A 231/4885

“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.