SCHEMBL22855355

SCHEMBL22855355

Cc1cc(Nc2cc(C)[nH]n2)nc([C@]2(O)CC[C@@H](C(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.46
AURKA O14965 4/20 0.41
AURKB Q96GD4 4/20 0.41
RIPK1 Q13546 1/20 0.38
SYK P43405 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL18789241 0.83 RET (0.55) RETAURKAAURKBSYK
SCHEMBL30401442 0.83 RET (0.55) RETAURKAAURKBSYK
SCHEMBL18789278 0.83 RET (0.55) RETAURKAAURKBSYK
SCHEMBL18789231 0.80 RET (0.55) RETAURKAAURKBRIPK1
SCHEMBL19813620 0.79 RET (0.51) RETAURKAAURKBSYK
SCHEMBL19823168 0.79 RET (0.51) RETAURKAAURKBSYK
SCHEMBL19813413 0.76 RET (0.51) RETAURKAAURKBRIPK1
SCHEMBL19349943 0.73 RET (0.46) RETAURKAAURKBRIPK1SYK
SCHEMBL29969423 0.73 RET (0.54) RETAURKAAURKBRIPK1SYK
SCHEMBL21744575 0.72 KDM4E (0.66) RETAURKAAURKBRIPK1

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-20200407341-A1 INHIBITORS OF RET BLUEPRINT MEDICINES CORPORATION 2020-12-31 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-20200407341-A1 INHIBITORS OF RET RET, HRAS, RB1 RET 1/4885AURKA 1749/4885AURKB 1530/4885

“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.