SCHEMBL310974

SCHEMBL310974

COc1cc(N2CCC(N3CCC(CCS(C)(=O)=O)CC3)CC2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.39
ALK Q9UM73 3/20 0.38
INSR P06213 2/20 0.38
IGF1R P08069 2/20 0.38
CAMK2D Q13557 2/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
GAK O14976 1/20 0.38
ERN1 O75460 1/20 0.38
STK10 O94804 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
NPM1 P06748 1/20 0.38
FES P07332 1/20 0.38
YES1 P07947 1/20 0.38
HCK P08631 1/20 0.38
ROS1 P08922 1/20 0.38
NQO2 P16083 1/20 0.38
FER P16591 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
SCHEMBL310514 0.93 DPP4 (0.41) INSRIGF1RDPP4HTR4MCHR1
SCHEMBL13380440 0.86 DPP4 (0.39) ALKCAMK2DEML4DPP4HTR4
SCHEMBL311234 0.85 EGFR (0.45) EGFRALKINSRIGF1RCAMK2D
SCHEMBL310690 0.85 ALDH1A1 (0.55)
SCHEMBL310977 0.83 EGFR (0.42) EGFRALKINSRIGF1RCAMK2D
SCHEMBL309660 0.82 IGF1R (0.47) EGFRALKINSRIGF1RCAMK2D
SCHEMBL10205071 0.81 L3MBTL3 (0.46) ALKINSRIGF1RPTK2DPP4
Hydrochloric Acid SCHEMBL2207439 0.81 IGF1R (0.47) EGFRALKINSRIGF1RCAMK2D
SCHEMBL13981451 0.81 L3MBTL3 (0.43) ALKINSRIGF1RPTK2BDPP4
SCHEMBL311185 0.81 L3MBTL1 (0.43) ALKINSRIGF1RDPP4

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 10 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-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 EGFR 491/4885ALK 144/4885INSR 814/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 EGFR 491/4885ALK 144/4885INSR 814/4885

“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.