SCHEMBL5553863

SCHEMBL5553863

Nc1nc(C(=O)O)c(-c2cccc(-c3ccccc3)c2)c2sccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 4/20 0.44
DHODH Q02127 2/20 0.42
ADORA2A P29274 1/20 0.42
DUSP3 P51452 3/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LDHA P00338 1/20 0.39
KMO O15229 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
PTPN1 P18031 1/20 0.38
HAO2 Q9NYQ3 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
DHFR P00374 1/20 0.37
LIMK1 P53667 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL5550318 0.70 MAP3K8 (0.53) MAP3K8ADORA2AMAPK1MAP2K1LIMK1
SCHEMBL7382821 0.66 ADORA2A (0.46) ADORA2AMAPK1
SCHEMBL11907312 0.65 MAP2K3 (0.62) DHODHDUSP3KMOASIC3
SCHEMBL27777002 0.65 TLR8 (0.50) ADORA2A
SCHEMBL27389038 0.64 ALDH1A1 (0.53) DHODHCSNK2BCSNK2A1
SCHEMBL14902909 0.63 PLK4 (0.43) MAP3K8DHODHCSNK2A1
SCHEMBL10300214 0.63 PDPK1 (0.40) DHODHADORA2A
SCHEMBL6068379 0.62 JAK2 (0.52) MAP3K8ADORA2AMAPK1MAP2K1
Bicarbonate SCHEMBL9702180 0.62 KMO (0.70) DHODHKMODHFR
SCHEMBL10002436 0.61 DYRK1A (0.40) ADORA2AMAP2K1LIMK1CSNK2A2CSNK2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 MAP3K8 13/4885DHODH 1574/4885ADORA2A 3736/4885

“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.