SCHEMBL20153142

SCHEMBL20153142

NCC(C(=O)N1C2CC1CN(SS)C2)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.41
DPP4 P27487 5/20 0.34
DPP7 Q9UHL4 4/20 0.34
DPP8 Q6V1X1 3/20 0.34
CACNA1B Q00975 2/20 0.34
DPP9 Q86TI2 2/20 0.33
FAP Q12884 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MYLK4 Q86YV6 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL20154582 0.84 RET (0.47) RETDPP4DPP7DPP8CACNA1B
SCHEMBL20069729 0.83 RET (0.46) RETDPP4DPP7DPP8CACNA1B
SCHEMBL20069727 0.82 RET (0.44) RETDPP4DPP7DPP8CACNA1B
SCHEMBL22030577 0.71 RET (0.47) RETDPP4DPP7DPP8DPP9
SCHEMBL20069728 0.70 RET (0.48) RETDPP4DPP7DPP8DPP9
SCHEMBL20152348 0.68 RET (0.45) RETDPP4DPP7DPP8DPP9
SCHEMBL20071290 0.68 RET (0.42) RETDPP4DPP7DPP8DPP9
SCHEMBL21158895 0.68 RET (0.45) RETDPP4DPP7DPP8DPP9
SCHEMBL22030851 0.67 RET (0.44) RETDPP4DPP7DPP8DPP9
SCHEMBL21159093 0.66 CHRM1 (0.52) CACNA1BALDH1A1

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-20180133200-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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885DPP4 1948/4885DPP7 2391/4885

“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.