SCHEMBL5850164

SCHEMBL5850164

O=C(Cc1nc2c([nH]1)CCCC2)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GSK3B P49841 2/20 0.39
NPC1 O15118 3/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL5849533 0.86 RAB9A (0.40) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5851324 0.86 RAB9A (0.53) RAB9AMAPTALDH1A1SMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL5849993 0.85 RAB9A (0.52) RAB9AMAPTALDH1A1SMN1; SMN2GSK3B
Hydrochloric Acid SCHEMBL5849812 0.85 RAB9A (0.52) RAB9AMAPTALDH1A1SMN1; SMN2GSK3B
SCHEMBL5849735 0.85 ALDH1A1 (0.42) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5851403 0.83 NPC1 (0.44) RAB9AMAPTALDH1A1SMN1; SMN2GSK3B
SCHEMBL5849411 0.81 ITGB3 (0.37) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5849860 0.77 HTT (0.41) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5851326 0.76 MEN1 (0.39) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5849777 0.76 MAPT (0.43) RAB9AMAPTALDH1A1NPC1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984646-B2 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALHCARE AG (DE) 2006-01-10 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 WO 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 RAB9A 1505/4885MAPT 1617/4885ALDH1A1 1216/4885

“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.