SCHEMBL5850110

SCHEMBL5850110

O=C(Cc1nc2c([nH]1)CCCC2)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
AKT1 P31749 1/20 0.35
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACKR3 P25106 3/20 0.34
POLB P06746 1/20 0.33
MPO P05164 1/20 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
SCHEMBL5851371 0.90 ALDH1A1 (0.40) CES2CES1TP53LMNAKMT2A
SCHEMBL5849615 0.85 MAPT (0.42) CES2CES1TP53LMNAKMT2A
Hydrochloric Acid SCHEMBL5850101 0.84 MAPT (0.41) CES2CES1TP53LMNAKMT2A
SCHEMBL5849533 0.82 RAB9A (0.40) KMT2ARAB9APARP1SMN1; SMN2
SCHEMBL5850125 0.82 ACKR3 (0.37) CES2CES1LMNARAB9AACKR3
SCHEMBL5851877 0.80 ACKR3 (0.36) CES2CES1AKT1ACKR3
SCHEMBL5849717 0.80 ACKR3 (0.37) CES2CES1RAB9ASMN1; SMN2ACKR3
Hydrochloric Acid SCHEMBL5851326 0.80 MEN1 (0.39) CES2CES1LMNAKMT2ARAB9A
SCHEMBL5849411 0.79 ITGB3 (0.37) CES2CES1KMT2AAKT1RAB9A
SCHEMBL5850318 0.75 MAPT (0.40) CES2CES1TP53LMNAKMT2A

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 CES2 4391/4885CES1 1896/4885TP53 2096/4885

“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.