Sugi Predict

Sugi Predict / Compounds / SCHEMBL953339

SCHEMBL953339

SCHEMBL953339

C[Si](C)(C)CCOCn1nc(C(=O)O)c2cc(-c3cncc4ccccc34)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.46
▸ CYP11B2 P19099 7/20 0.46
▸ WNT1 P04628 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ NTSR1 P30989 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CCNC P24863 3/20 0.39
▸ CDK8 P49336 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MYLK Q15746 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CILK1 Q9UPZ9 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
SCHEMBL6277247 0.88 MMP9 (0.43) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL951128 0.86 ABL1 (0.42) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL952290 0.84 CYP11B1 (0.42) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL4532307 0.82 TP53 (0.45) NPC1
SCHEMBL5996307 0.82 CYP11B1 (0.41) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL5515590 0.82 CYP11B1 (0.41) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL30142294 0.81 NPC1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9NPC1
SCHEMBL30142296 0.81 NPC1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9NPC1
SCHEMBL955499 0.80 KDR (0.38) CYP11B1CYP11B2WNT1DYRK1ANTSR1
SCHEMBL7634332 0.78 CYP11B2 (0.39) CYP11B1CYP11B2WNT1DYRK1ANTSR1

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 CYP11B1 52/4885CYP11B2 19/4885WNT1 4216/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 CYP11B1 52/4885CYP11B2 19/4885WNT1 4216/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 CYP11B1 780/4885CYP11B2 536/4885WNT1 364/4885

“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.