SCHEMBL310526

SCHEMBL310526

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
IGF1R P08069 3/20 0.39
INSR P06213 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LGMN Q99538 1/20 0.35
ACHE P22303 1/20 0.35
HTR4 Q13639 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL310907 0.89 IGF1R (0.39) EGFRERBB2IGF1RINSRALDH1A1
SCHEMBL310858 0.88 EGFR (0.38) EGFRERBB2IGF1RALDH1A1LMNA
SCHEMBL310323 0.84 LMNA (0.42) EGFRERBB2IGF1RALDH1A1LMNA
SCHEMBL310757 0.81 SMO (0.41) IGF1RALDH1A1TDP1LMNAPOLB
SCHEMBL14406651 0.81 LGMN (0.33) EGFRERBB2IGF1RPOLBKDM4E
SCHEMBL310643 0.78 ENPP1 (0.37) IGF1RINSRALDH1A1LMNAACHE
SCHEMBL28802517 0.76 MAPT (0.52) ALDH1A1LMNAPOLBKDM4ESMN1; SMN2
SCHEMBL310309 0.75 LMNA (0.42) IGF1RINSRALDH1A1LMNASMN1; SMN2
SCHEMBL25011531 0.74 GAA (0.42) EGFRIGF1RINSRSMN1; SMN2
SCHEMBL24327052 0.74 CARM1 (0.39) ALDH1A1TDP1POLBKDM4ESMN1; SMN2

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 EGFR 491/4885ERBB2 55/4885IGF1R 633/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 EGFR 491/4885ERBB2 55/4885IGF1R 633/4885

“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.