SCHEMBL310656

SCHEMBL310656

COc1cc(N2CCN(C3CCN(CCF)CC3)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
KHK P50053 1/20 0.41
HTR4 Q13639 4/20 0.41
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
TP53BP1 Q12888 1/20 0.38
L3MBTL3 Q96JM7 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
SCHEMBL311282 0.95 TGFBR1 (0.41) ALDH1A1SMN1; SMN2TGFBR1ACVR1KHK
SCHEMBL310642 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTHTR4
SCHEMBL10155152 0.88 TGFBR1 (0.50) MAPTTGFBR1ACVR1HTR4KDM4E
SCHEMBL310116 0.87 HTR4 (0.43) ALDH1A1TGFBR1ACVR1HTR4CHRM4
SCHEMBL310977 0.86 EGFR (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTHTR4
SCHEMBL29517345 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKHKKDM4E
SCHEMBL519761 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKHKKDM4E
SCHEMBL30340719 0.85 KHK (0.46) ALDH1A1KMT2AKHKADRA1BKDM4E
SCHEMBL521436 0.85 EGFR (0.43) ALDH1A1SMN1; SMN2KMT2AMAPTHTR4
SCHEMBL310764 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTHTR4

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 ALDH1A1 3410/4885SMN1; SMN2 2982/4885KMT2A 800/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885SMN1; SMN2 2982/4885KMT2A 800/4885

“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.