SCHEMBL5849802

SCHEMBL5849802

O=C(c1ccccc1)c1ccc(Cl)n2ccnc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TNK2 Q07912 5/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AKR1C3 P42330 1/20 0.39
CYP19A1 P11511 1/20 0.38
NR4A1 P22736 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 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
SCHEMBL21598677 0.78 MKNK1 (0.42) KMT2AKDM4E
SCHEMBL5851859 0.71 PDE1A (0.37) ALDH1A1KMT2AMEN1AKR1C3NR4A1
SCHEMBL11172108 0.70 CDK2 (0.53)
SCHEMBL22490646 0.68 CCNE1 (0.38)
SCHEMBL5073237 0.67 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1AKR1C3NR4A1
SCHEMBL3709112 0.66 SMN1; SMN2 (0.67) ALDH1A1KMT2AMEN1AKR1C3NR4A1
SCHEMBL10554596 0.66 IRAK4 (0.57) KDM4E
SCHEMBL5076643 0.65 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1AKR1C3KDM4E
SCHEMBL5001988 0.64 AKR1C3 (0.44) ALDH1A1KMT2AMEN1AKR1C3NR4A1
SCHEMBL19554105 0.64 MYC (0.45) ALDH1A1KMT2AMEN1NR4A1KDM4E

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 ALDH1A1 1216/4885TNK2 85/4885KMT2A 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.