Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538588

SCHEMBL3538588

SCHEMBL3538588

Cn1c(-c2n[nH]c3ccc(Oc4ccccc4)cc23)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ BRAF P15056 9/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TTK P33981 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ FLT1 P17948 2/20 0.38
▸ RAF1 P04049 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ TEK Q02763 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
▸ RIPK2 O43353 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
SCHEMBL3536898 0.92 BRAF (0.41) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3532970 0.92 CACNA1D (0.42) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3534652 0.92 BRAF (0.39) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3539940 0.92 CACNA1D (0.42) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3535697 0.91 HTR2B (0.41) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3538887 0.89 BRAF (0.37) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3542562 0.89 BRAF (0.39) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3541984 0.89 ABL1 (0.42) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3535847 0.88 TRPV1 (0.42) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3540348 0.88 BRAF (0.38) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2

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 MAP2K4 1134/4885MAPK1 1486/4885MAPKAPK3 857/4885

“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.