Sugi Predict

Sugi Predict / Compounds / SCHEMBL954050

SCHEMBL954050

SCHEMBL954050

Cc1c(N)cncc1-c1ccc2c(c1)c(C(=O)Nc1ccncc1)nn2COCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ NAMPT P43490 4/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ MAPK13 O15264 2/20 0.33
▸ DYRK3 O43781 2/20 0.33
▸ RPS6KA5 O75582 2/20 0.33
▸ PRKD3 O94806 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ LYN P07948 2/20 0.33
▸ RET P07949 2/20 0.33
▸ MET P08581 2/20 0.33
▸ KIT P10721 2/20 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
SCHEMBL951815 0.93 GRM5 (0.39) GRM5MAPTCNR1CNR2PAK1
SCHEMBL4531463 0.91 GRM5 (0.36) GRM5MAPTCNR1CNR2PAK1
SCHEMBL4524532 0.86 MCL1 (0.39) NAMPTCLK2DYRK1AALOX5AP
SCHEMBL951128 0.85 ABL1 (0.42) GRM5ABL1MAPTNAMPTROCK2
SCHEMBL4524692 0.85 L3MBTL1 (0.35) GRM5MAPTPAK1ROCK1RIPK1
SCHEMBL953701 0.84 PIK3C3 (0.41) GRM5MAPTPAK1NAMPTCLK2
SCHEMBL27655692 0.82 DYRK1A (0.43) MAPTFGFR1KDRCLK2DYRK1A
SCHEMBL952876 0.82 GRM5 (0.37) GRM5MAPTCNR1CNR2NAMPT
SCHEMBL954077 0.82 NPC1 (0.39) GRM5MAPTNAMPT
SCHEMBL951836 0.82 GRM5 (0.38) GRM5ABL1MAPTCNR1CNR2

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
CN-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 — — CN 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 (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-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 GRM5 2216/4885ABL1 647/4885MAPT 1165/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 GRM5 3651/4885ABL1 242/4885MAPT 2661/4885

“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.