SCHEMBL5117811

SCHEMBL5117811

Ic1ccc(-c2nnc(CN3CCOCC3)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 4/20 0.55
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 2/20 0.55
ATM Q13315 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 1/20 0.50
PIK3CG P48736 1/20 0.49
MEN1 O00255 2/20 0.48
HRH3 Q9Y5N1 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
GAA P10253 2/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5113106 0.88 KMT2A (0.69) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL5117951 0.87 KMT2A (0.72) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL14078255 0.86 RAB9A (0.58) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL5127587 0.74 KMT2A (0.69) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL14078247 0.74 KMT2A (0.69) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL14078249 0.72 KMT2A (0.72) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL10016594 0.72 KMT2A (0.97) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL5124689 0.72 ALDH1A1 (0.68) MAPTSMN1; SMN2KMT2AKCNH2ALDH1A1
SCHEMBL31049648 0.72 NOTUM (0.68) MAPTSMN1; SMN2KMT2AALDH1A1RAB9A
SCHEMBL254624 0.71 HIF1A (0.73) MAPTSMN1; SMN2ALDH1A1LMNAHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 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 (1 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 MAPT 2364/4885SMN1; SMN2 2815/4885KMT2A 3587/4885

“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.