SCHEMBL19738337

SCHEMBL19738337

Cc1nc(NC(=O)OC(C)(C)C)c2nc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATR Q13535 1/20 0.34
▸ LCK P06239 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL19738205 0.89 SYK (0.39) SYKL3MBTL1ATRTDP1MAPT
SCHEMBL22939319 0.86 SYK (0.39) SYKL3MBTL1ATRLCKTDP1
SCHEMBL29593210 0.86 SYK (0.39) SYKL3MBTL1ATRLCKTDP1
SCHEMBL19738339 0.85 SYK (0.39) SYKL3MBTL1ATRTDP1MAPT
SCHEMBL29124868 0.84 SYK (0.38) SYKL3MBTL1ATRTDP1MAPT
SCHEMBL29124870 0.83 SYK (0.37) SYKL3MBTL1ATRTDP1MAPT
SCHEMBL19738338 0.83 SYK (0.37) SYKL3MBTL1ATRTDP1MAPT
SCHEMBL24653331 0.81 AURKA (0.40) SYKL3MBTL1ATRNPSR1
SCHEMBL29124862 0.80 SYK (0.36) SYKL3MBTL1TDP1MAPTKDM4E
SCHEMBL16146526 0.80 ADORA3 (0.43) L3MBTL1MAPTKDM4ENPSR1

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 — — 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 SYK 1323/4885L3MBTL1 2316/4885ATR 1113/4885

“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.

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