Sugi Predict

Sugi Predict / Compounds / SCHEMBL310907

SCHEMBL310907

SCHEMBL310907

CCOc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(CC)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.39
▸ INSR P06213 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ ACHE P22303 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LGMN Q99538 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL310643 0.90 ENPP1 (0.37) IGF1RINSRALDH1A1ACHEHTR4
SCHEMBL310526 0.89 EGFR (0.39) IGF1RINSRALDH1A1ACHEHTR4
SCHEMBL310309 0.84 LMNA (0.42) IGF1RINSRALDH1A1SMN1; SMN2HTT
SCHEMBL14406637 0.82 LGMN (0.33) IGF1RINSRALDH1A1HSD17B10LGMN
SCHEMBL310057 0.81 HSD17B10 (0.39) ALDH1A1HSD17B10EGFRL3MBTL1KDM4E
SCHEMBL310383 0.79 RECQL (0.41) IGF1RINSRALDH1A1HSD17B10EGFR
SCHEMBL310858 0.77 EGFR (0.38) IGF1RALDH1A1ACHEHTR4EGFR
SCHEMBL310912 0.76 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2GAALMNAMEN1
SCHEMBL310323 0.75 LMNA (0.42) IGF1RALDH1A1EGFRERBB2SMN1; SMN2
SCHEMBL25339398 0.72 GAA (0.43) EGFRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 — — EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 — — US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 — — US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 — — EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 — — WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 — — 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 IGF1R 633/4885INSR 814/4885ALDH1A1 3410/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 IGF1R 633/4885INSR 814/4885ALDH1A1 3410/4885

“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.