SCHEMBL5849658

SCHEMBL5849658

O=C(Cc1nc2c([nH]1)CCCC2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
DDR1 Q08345 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 1/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
CNR2 P34972 1/20 0.38
SRD5A2 P31213 1/20 0.38
ESR1 P03372 1/20 0.37
MEN1 O00255 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
Hydrochloric Acid SCHEMBL5851326 0.84 MEN1 (0.39) CES2CTNNB1WNT3ALMNAHPGD
SCHEMBL5849860 0.82 HTT (0.41) LMNANPSR1KMT2ARAB9AALDH1A1
SCHEMBL5849735 0.82 ALDH1A1 (0.42) POLBLMNAHPGDKMT2ARAB9A
Hydrochloric Acid SCHEMBL5849777 0.81 MAPT (0.43) CTNNB1WNT3AHPGDNPSR1KMT2A
SCHEMBL5849411 0.79 ITGB3 (0.37) CES2POLBKMT2ARAB9AALDH1A1
SCHEMBL5850164 0.74 RAB9A (0.53) LMNAKMT2ARAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5849812 0.73 RAB9A (0.52) CTNNB1WNT3ALMNAHPGDKMT2A
SCHEMBL5850110 0.71 CES2 (0.39) CES2POLBLMNAKMT2ARAB9A
SCHEMBL5850318 0.70 MAPT (0.40) CES2POLBLMNAHPGDKMT2A
SCHEMBL5849640 0.70 ALDH1A1 (0.43) POLBLMNAHPGDNPSR1KMT2A

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 4391/4885CTNNB1 2907/4885WNT3A 3262/4885

“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.