SCHEMBL20205901

SCHEMBL20205901

CCN1CCC(CO)(NC(=O)CC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RET P07949 3/20 0.36
KDM4E B2RXH2 3/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
GAA P10253 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CYP2D6 P10635 1/20 0.33
EPHX1 P07099 1/20 0.33
MME P08473 1/20 0.32
ADAM17 P78536 1/20 0.32
DPP4 P27487 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20070061 0.84 SMN1; SMN2 (0.41) TP53SMN1; SMN2ALDH1A1RETKDM4E
SCHEMBL20070060 0.83 TP53 (0.36) TP53SMN1; SMN2ALDH1A1RETKDM4E
SCHEMBL20069716 0.80 RET (0.43) TP53SMN1; SMN2ALDH1A1RETKDM4E
SCHEMBL20147508 0.79 RET (0.42) TP53SMN1; SMN2ALDH1A1RETKDM4E
SCHEMBL20147896 0.72 RET (0.45) SMN1; SMN2ALDH1A1RETKDM4ETDP1
SCHEMBL20069712 0.71 RET (0.41) TP53SMN1; SMN2ALDH1A1RETKDM4E
SCHEMBL15116428 0.70 SMN1; SMN2 (0.34) TP53SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL20147518 0.70 RET (0.40) TP53SMN1; SMN2RETKDM4EGAA
SCHEMBL19388214 0.69 CETP (0.34) TP53SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL20069525 0.69 RET (0.41) TP53SMN1; SMN2ALDH1A1RETCCNA2

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 TP53 759/4885SMN1; SMN2 646/4885ALDH1A1 2547/4885

“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.