SCHEMBL954077

SCHEMBL954077

C[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(-c3cnco3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 7/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IMPDH2 P12268 2/20 0.36
MAPT P10636 1/20 0.36
IMPDH1 P20839 1/20 0.36
GRM5 P41594 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PORCN Q9H237 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.34

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
SCHEMBL12915086 0.88 MAPT (0.40) NPC1KDM4ERAB9APKMALDH1A1
SCHEMBL27655692 0.85 DYRK1A (0.43) MAPT
SCHEMBL952876 0.85 GRM5 (0.37) NPC1PKMALDH1A1LMNANAMPT
SCHEMBL951836 0.84 GRM5 (0.38) MAPTGRM5
SCHEMBL951815 0.84 GRM5 (0.39) LMNANAMPTMAPK1MAPTGRM5
SCHEMBL952406 0.84 IKBKE (0.43) MAPTGRM5
SCHEMBL954359 0.82 GRM5 (0.36) NPC1KDM4EALDH1A1LMNANAMPT
SCHEMBL954050 0.82 GRM5 (0.37) NAMPTMAPTGRM5
SCHEMBL951128 0.82 ABL1 (0.42) NAMPTMAPTGRM5
SCHEMBL953701 0.80 PIK3C3 (0.41) NAMPTMAPK1MAPTGRM5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 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 (3 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885KDM4E 2696/4885RAB9A 2782/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 NPC1 551/4885KDM4E 2696/4885RAB9A 2782/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 NPC1 3984/4885KDM4E 2725/4885RAB9A 4086/4885

“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.