SCHEMBL4840197

SCHEMBL4840197

Nc1nc2ccc(-c3nc[nH]c3-c3ccccc3)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.65
PI4KA P42356 9/20 0.63
PI4KB Q9UBF8 9/20 0.63
PIK3CA P42336 9/20 0.63
PIK3CD O00329 9/20 0.56
PIK3CG P48736 8/20 0.56
PIP5K1C O60331 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 2/20 0.53
IDO1 P14902 4/20 0.52
PIK3CB P42338 6/20 0.51
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL18041640 0.95 PI4KA (0.63) MAPK14PI4KAPI4KBPIK3CAPIK3CD
SCHEMBL8773471 0.79 PIK3CA (1.00) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL30099333 0.76 TGFBR1 (0.58) MAPK14PI4KAPI4KBPIK3CAPIK3CD
SCHEMBL5772031 0.75 MAPK14 (0.59) MAPK14MAPTKDM4ECYP3A4IDO1
SCHEMBL18041544 0.74 MAPK14 (0.92) MAPK14PIK3CGMAPTKDM4ECYP3A4
SCHEMBL5532470 0.73 PIK3CA (0.82) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL29646253 0.73 PIK3CA (0.82) PI4KAPI4KBPIK3CAPIK3CDPIK3CG
SCHEMBL5772038 0.73 CYP3A4 (0.54) MAPK14MAPTKDM4ECYP3A4IDO1
SCHEMBL12373168 0.72 MAPK14 (0.73) MAPK14PI4KAPI4KBPIK3CAPIK3CD
SCHEMBL224770 0.72 KDM4E (1.00) MAPK14MAPTKDM4ECYP3A4IDO1

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 MAPK14 10/4885PI4KA 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.