SCHEMBL4834028

SCHEMBL4834028

Nc1nc2ccc(-c3c(-c4ccccc4)ncn3C3CCCCC3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.52
PI4KA P42356 14/20 0.52
PI4KB Q9UBF8 14/20 0.52
PIK3CD O00329 13/20 0.47
PIK3CG P48736 11/20 0.47
PIK3CB P42338 9/20 0.47
MAPK14 Q16539 2/20 0.46
MAPK13 O15264 1/20 0.46
EGFR P00533 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK12 P53778 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK11 Q15759 1/20 0.46
PIP5K1C O60331 3/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4838938 0.88 MAPK14 (0.41) PIK3CAPI4KAPI4KBMAPK14MAPK13
SCHEMBL4837487 0.86 MAPK14 (0.41) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL4837492 0.85 MAPK14 (0.41) PIK3CAPI4KAPI4KBMAPK14MAPK13
SCHEMBL991427 0.74 MAPK14 (0.50) MAPK14MAPK13EGFRCSNK1DCSNK1E
SCHEMBL4837575 0.73 MAPK14 (0.72) PI4KBMAPK14EGFRCSNK1D
SCHEMBL5748234 0.72 MAPK14 (0.60) MAPK14MAPK13EGFRCSNK1DCSNK1E
SCHEMBL6212248 0.72 PI4KA (0.53) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL8773471 0.71 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL990284 0.71 MAPK14 (0.47) MAPK14MAPK13EGFRCSNK1DCSNK1E
SCHEMBL990252 0.71 SPHK1 (0.45) MAPK14MAPK13EGFRCSNK1DCSNK1E

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 PIK3CA 704/4885PI4KA 210/4885PI4KB 282/4885

“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.