SCHEMBL309965

SCHEMBL309965

CCCN1CC=C(c2cc(OC)c([N+](=O)[O-])cc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
HTR6 P50406 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL19175408 0.90 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP2D6L3MBTL1KMT2A
SCHEMBL26655503 0.85 SLC6A4 (0.45) SMN1; SMN2ALDH1A1KMT2ASIRT6LMNA
SCHEMBL29661279 0.85 SLC6A4 (0.45) SMN1; SMN2ALDH1A1KMT2ASIRT6LMNA
SCHEMBL311532 0.81 SIGMAR1 (0.48) ALDH1A1CYP2D6L3MBTL1SIGMAR1KMT2A
SCHEMBL17303743 0.80 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL24179362 0.78 SIRT6 (0.40) SMN1; SMN2ALDH1A1KMT2ASIRT6LMNA
SCHEMBL24179115 0.76 ROS1 (0.41) SMN1; SMN2ALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL2060256 0.75 ABCB1 (0.49) ALDH1A1CYP2D6L3MBTL1SIRT6
SCHEMBL29661274 0.75 PDK4 (0.47) SMN1; SMN2ALDH1A1HTR6LMNA
SCHEMBL18843609 0.75 PDK4 (0.47) SMN1; SMN2ALDH1A1HTR6LMNA

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 16 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
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO 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 SMN1; SMN2 2982/4885ALDH1A1 3410/4885CYP2D6 1612/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMN1; SMN2 2982/4885ALDH1A1 3410/4885CYP2D6 1612/4885

“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.