SCHEMBL310495

SCHEMBL310495

O=[N+]([O-])c1ccc(N2CCC(N3CCNCC3)CC2)cc1OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 7/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.46
SIRT6 Q8N6T7 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 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
SCHEMBL310079 0.85 ALDH1A1 (0.64) MAPTCYP1A2CYP2C19HTTCYP2C9
SCHEMBL311262 0.83 MAPT (0.54) MAPTCYP1A2CYP2C19HTTALDH1A1
SCHEMBL310050 0.82 MAPT (0.48) MAPTALDH1A1LMNASIRT6
SCHEMBL10290722 0.82 KHK (0.39) MAPTALDH1A1SMN1; SMN2
SCHEMBL3639481 0.80 MAPT (0.43) MAPTALDH1A1LMNASIRT6SMN1; SMN2
SCHEMBL309974 0.79 MAPT (0.56) MAPTCYP1A2CYP2C19HTTALDH1A1
SCHEMBL309562 0.78 MAPT (0.66) MAPTCYP1A2CYP2C19HTTCYP2C9
SCHEMBL3503718 0.78 MAPT (0.43) MAPTALDH1A1LMNASIRT6HTR6
SCHEMBL23260179 0.77 SIRT6 (0.56) MAPTCYP1A2CYP2C19HTTCYP2C9
SCHEMBL311747 0.77 SIRT6 (0.65) MAPTCYP1A2CYP2C19HTTCYP2C9

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
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
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 MAPT 2367/4885CYP1A2 2237/4885CYP2C19 1431/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 MAPT 2367/4885CYP1A2 2237/4885CYP2C19 1431/4885

“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.