Sugi Predict

Sugi Predict / Compounds / SCHEMBL3590449

SCHEMBL3590449

SCHEMBL3590449

COc1cc2[nH]nc(-c3nc4cc(C(F)(F)F)ccc4n3C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1D Q01668 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAP2K4 P45985 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ MAPK6 Q16659 3/20 0.38
▸ MAPKAPK3 Q16644 2/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ AGPAT2 O15120 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAK O14976 2/20 0.35
▸ PDE2A O00408 1/20 0.35

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
SCHEMBL3538596 0.89 ABL1 (0.44) POLBKDM4ECNR2
SCHEMBL3541984 0.84 ABL1 (0.42) CACNA1DPOLBMAP2K4MAPK1MAPK6
SCHEMBL3532970 0.83 CACNA1D (0.42) CACNA1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL3538746 0.83 TRPA1 (0.46) MAP2K4MAPK1MAPK6TRPA1AGPAT2
SCHEMBL3533928 0.82 ADORA1 (0.44) POLBSMN1; SMN2MAPK1KDM4ERAB9A
SCHEMBL3590351 0.82 TRPA1 (0.46) SMN1; SMN2MAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL3539940 0.81 CACNA1D (0.42) CACNA1DMAP2K4MAPK1MAPK6MAPKAPK3
SCHEMBL3536604 0.79 ITK (0.46) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL3542531 0.79 ITK (0.43) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL3538588 0.79 MAP2K4 (0.39) CACNA1DMAP2K4MAPK1MAPK6MAPKAPK3

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 1137/4885POLB 2753/4885SMN1; SMN2 1141/4885

“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.