SCHEMBL5850318

SCHEMBL5850318

O=C(Cc1nc2c([nH]1)CCCC2)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 5/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 2/20 0.34
SMO Q99835 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL5849726 0.85 HTT (0.40) MAPTALDH1A1KMT2AGAAERCC5
SCHEMBL5849615 0.85 MAPT (0.42) MAPTALDH1A1KMT2AGAAERCC5
Hydrochloric Acid SCHEMBL5850101 0.84 MAPT (0.41) MAPTALDH1A1KMT2AGAAERCC5
SCHEMBL5851371 0.75 ALDH1A1 (0.40) MAPTALDH1A1KMT2ACES2CES1
SCHEMBL5850164 0.74 RAB9A (0.53) MAPTALDH1A1KMT2AGAARAB9A
SCHEMBL5849533 0.74 RAB9A (0.40) MAPTALDH1A1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL5849812 0.73 RAB9A (0.52) MAPTALDH1A1KMT2AGAARAB9A
Hydrochloric Acid SCHEMBL5851326 0.72 MEN1 (0.39) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL31288988 0.66 ALDH1A1 (0.49) MAPTALDH1A1GAARAB9ANPC1
SCHEMBL3377072 0.65 L3MBTL1 (0.58) MAPTALDH1A1KMT2AERCC5FEN1

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 MAPT 1617/4885ALDH1A1 1216/4885KMT2A 2453/4885

“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.