SCHEMBL758642

SCHEMBL758642

CN(C)C=Nc1ncc2[nH]cc(-c3cc(-c4cc5ccccc5s4)c4c(cnn4COCC[Si](C)(C)C)c3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.42
▸ PLK4 O00444 2/20 0.31
▸ CHEK1 O14757 2/20 0.31
▸ MAPK13 O15264 2/20 0.31
▸ PDPK1 O15530 2/20 0.31
▸ DAPK3 O43293 2/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ PAK4 O96013 2/20 0.31
▸ CHEK2 O96017 2/20 0.31
▸ PRKCG P05129 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ PRKACA P17612 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ MARK3 P27448 2/20 0.31
▸ AKT1 P31749 2/20 0.31
▸ AKT2 P31751 2/20 0.31
▸ FLT4 P35916 2/20 0.31
▸ CSNK1D P48730 2/20 0.31
▸ GSK3A P49840 2/20 0.31
▸ GSK3B P49841 2/20 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
SCHEMBL758641 1.00 MAPKAPK2 (0.42) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL10214599 1.00 MAPKAPK2 (0.42) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL760565 0.86 MAPKAPK2 (0.58) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL757768 0.86 MAPKAPK2 (0.45) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL757767 0.86 MAPKAPK2 (0.45) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL759176 0.85 MAPKAPK2 (0.43) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL759863 0.82 MAPKAPK2 (0.42) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL759864 0.82 MAPKAPK2 (0.42) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL10213788 0.80 MAPKAPK2 (0.36) MAPKAPK2PLK4CHEK1MAPK13PDPK1
SCHEMBL759991 0.80 MAPKAPK2 (0.38) MAPKAPK2PLK4CHEK1MAPK13PDPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 — — US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 — — US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 — — 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAPKAPK2 1905/4885PLK4 1716/4885CHEK1 1404/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPKAPK2 1905/4885PLK4 1716/4885CHEK1 1404/4885

“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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