SCHEMBL3538836

SCHEMBL3538836

O=Cc1n[nH]c2ccc(O)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 2/20 0.41
MAPKAPK2 P49137 2/20 0.41
MAPKAPK3 Q16644 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
ESR1 P03372 1/20 0.40
CHEK1 O14757 3/20 0.38
PARP1 P09874 3/20 0.38
GAA P10253 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL29955404 0.86 PDPK1 (0.54) PDPK1HSP90AB1ESR1CHEK1PARP1
SCHEMBL29953125 0.80 KIF11 (0.47) PDPK1MAP2K4MAPK6MAPKAPK5CHEK1
SCHEMBL3534726 0.80 KIF11 (0.47) PDPK1MAP2K4MAPK6MAPKAPK5CHEK1
SCHEMBL955512 0.79 NOS1 (0.38) PDPK1PARP1AURKA
SCHEMBL3541493 0.79 FADS1 (0.45) MAP2K4CHEK1PARP1GAATDP1
SCHEMBL5953047 0.79 MAP2K4 (0.49) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL13609687 0.79 GSK3B (0.47) PDPK1PARP1GAAMEN1KMT2A
SCHEMBL29957520 0.79 GSK3B (0.47) PDPK1PARP1GAAMEN1KMT2A
SCHEMBL3540306 0.79 ITK (0.43) MAPK1MAP2K4MAPK6CHEK1PARP1
SCHEMBL660142 0.79 PDPK1 (0.58) PDPK1CHEK1FGFR1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7790722-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2010-09-07 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-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-04-02 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK PDPK1 1862/4885HSP90AB1 1270/4885MAPK1 1486/4885
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 PDPK1 1335/4885HSP90AB1 3734/4885MAPK1 785/4885
US-20090088437-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 PDPK1 1778/4885HSP90AB1 3805/4885MAPK1 2512/4885

“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.