Sugi Predict

Sugi Predict / Compounds / SCHEMBL3532970

SCHEMBL3532970

SCHEMBL3532970

COc1ccc(Oc2ccc3[nH]nc(-c4nc5cc(C(F)(F)F)ccc5n4C)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1D Q01668 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MAP2K4 P45985 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPKAPK3 Q16644 2/20 0.39
▸ MAPK6 Q16659 2/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ BRAF P15056 7/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ RAF1 P04049 2/20 0.38
▸ STK25 O00506 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ EPHB6 O15197 1/20 0.38
▸ MAP3K7 O43318 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
SCHEMBL3539940 0.94 CACNA1D (0.42) CACNA1DKDM4ETDP1CNR2ABL1
SCHEMBL3536898 0.92 BRAF (0.41) CACNA1DABL1MAP2K4MAPK1MAPKAPK3
SCHEMBL3538588 0.92 MAP2K4 (0.39) CACNA1DABL1MAP2K4MAPK1MAPKAPK3
SCHEMBL3541984 0.89 ABL1 (0.42) CACNA1DKDM4ETDP1ABL1PIK3CA
SCHEMBL3534652 0.88 BRAF (0.39) ABL1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3535697 0.87 HTR2B (0.41) ABL1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3535847 0.86 TRPV1 (0.42) ABL1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3540348 0.86 BRAF (0.38) ABL1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3534151 0.86 BRAF (0.38) ABL1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL3538887 0.85 BRAF (0.37) ABL1MAP2K4MAPK1MAPKAPK3MAPK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CACNA1D 1137/4885KDM4E 2648/4885TDP1 1365/4885

“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.