SCHEMBL3538261

SCHEMBL3538261

COc1cccc(Oc2ccc3[nH]nc(-c4nc5ccc(N6CCC(N7CCCCC7)CC6)cc5[nH]4)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 1.00
FGFR1 P11362 10/20 0.85
FLT1 P17948 9/20 0.85
BCR P11274 6/20 0.71
KDR P35968 1/20 0.62

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
SCHEMBL3542686 0.96 ABL1 (0.92) ABL1FGFR1FLT1BCRKDR
SCHEMBL3538437 0.94 ABL1 (1.00) ABL1FGFR1FLT1BCRKDR
SCHEMBL3533705 0.94 ABL1 (1.00) ABL1FGFR1FLT1BCRKDR
SCHEMBL3535571 0.94 ABL1 (0.98) ABL1FGFR1FLT1BCRKDR
SCHEMBL13548658 0.91 ABL1 (0.85) ABL1FGFR1FLT1BCRKDR
SCHEMBL13548646 0.90 ABL1 (1.00) ABL1FGFR1FLT1BCRKDR
SCHEMBL3532275 0.89 ABL1 (0.85) ABL1FGFR1FLT1BCRKDR
SCHEMBL3542252 0.88 ABL1 (0.86) ABL1FGFR1FLT1BCRKDR
SCHEMBL3533317 0.88 ABL1 (0.87) ABL1FGFR1FLT1BCRKDR
SCHEMBL5866762 0.88 ABL1 (0.87) ABL1FGFR1FLT1BCRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
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-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 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 (2 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 ABL1 1/4885FGFR1 886/4885FLT1 2793/4885
US-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 ABL1 3782/4885FGFR1 2538/4885FLT1 4776/4885

“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.