SCHEMBL310977

SCHEMBL310977

COc1cc(N2CCN(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 3/20 0.41
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 3/20 0.41
KMT2A Q03164 1/20 0.40
ALK Q9UM73 3/20 0.40
INSR P06213 3/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BMPR1B O00238 1/20 0.39

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
SCHEMBL311234 0.96 EGFR (0.45) EGFRIGF1RKCNH2HTR4ALK
SCHEMBL310840 0.90 ALDH1A1 (0.42) EGFRALDH1A1SMN1; SMN2IGF1RKCNH2
SCHEMBL310231 0.89 KCNH2 (0.45) IGF1RKCNH2HTR4ALKMAPT
SCHEMBL310734 0.88 HTR4 (0.43) ALDH1A1IGF1RKCNH2HTR4ALK
SCHEMBL310656 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTR4KMT2ACHRM4
SCHEMBL310207 0.85 EGFR (0.41) EGFRALDH1A1SMN1; SMN2IGF1RKCNH2
SCHEMBL310339 0.85 SIRT6 (0.58) EGFRALDH1A1KMT2AMAPTKDM4E
SCHEMBL14406642 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL310974 0.83 EGFR (0.39) EGFRIGF1RHTR4ALKINSR
SCHEMBL29517345 0.83 ALDH1A1 (0.50) EGFRALDH1A1IGF1RALKINSR

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 14 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
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-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
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
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
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 EGFR 491/4885ALDH1A1 3410/4885SMN1; SMN2 2982/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 EGFR 491/4885ALDH1A1 3410/4885SMN1; SMN2 2982/4885

“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.