SCHEMBL5851371

SCHEMBL5851371

O=C(Cc1nc2c([nH]1)CCCC2)c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
AKT1 P31749 4/20 0.33
TP53 P04637 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PIK3CD O00329 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL5850110 0.90 CES2 (0.39) CES2CES1POLBKMT2APARP1
SCHEMBL5849615 0.85 MAPT (0.42) ALDH1A1CES2CES1POLBMAPT
Hydrochloric Acid SCHEMBL5850101 0.84 MAPT (0.41) ALDH1A1CES2CES1POLBMAPT
SCHEMBL5849533 0.82 RAB9A (0.40) ALDH1A1MAPTKMT2APARP1ITGB3
SCHEMBL5849411 0.81 ITGB3 (0.37) ALDH1A1CES2CES1POLBMAPT
Hydrochloric Acid SCHEMBL5851326 0.80 MEN1 (0.39) ALDH1A1CES2CES1MAPTKMT2A
SCHEMBL5850318 0.75 MAPT (0.40) ALDH1A1CES2CES1POLBMAPT
SCHEMBL5849726 0.75 HTT (0.40) ALDH1A1MAPTKMT2ALMNA
SCHEMBL5851324 0.74 RAB9A (0.53) ALDH1A1MAPTKMT2ATP53ITGB3
Hydrochloric Acid SCHEMBL5849993 0.73 RAB9A (0.52) ALDH1A1MAPTKMT2ATP53ITGB3

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 1216/4885CES2 4391/4885CES1 1896/4885

“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.