SCHEMBL4147310

SCHEMBL4147310

Cc1ccccc1-c1cc2cnc(S(C)(=O)=O)nc2n(C2CCOCC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
LCK P06239 1/20 0.44
PIK3CA P42336 7/20 0.41
MTOR P42345 3/20 0.41
CNR2 P34972 2/20 0.39
CCND1 P24385 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CDK6 Q00534 3/20 0.39
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39
CDK9 P50750 1/20 0.39
TNK2 Q07912 2/20 0.38
BTK Q06187 2/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
AKT1 P31749 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
SCHEMBL4151475 0.94 PIK3CA (0.43) MAPK14LCKPIK3CAMTORCNR2
SCHEMBL4153889 0.85 CCNE1 (0.46) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL4157046 0.83 DRD2 (0.42) CCND1CCNE1CDK2CDK6CCNT1
SCHEMBL4137496 0.83 MAPK14 (0.42) MAPK14LCKPIK3CAMTORCNR2
SCHEMBL4091072 0.83 RIPK2 (0.48) MAPK14LCKCCND1CCNE1CDK2
SCHEMBL4137710 0.82 PIK3CA (0.40) PIK3CAMTORCCND1CCNE1CDK2
SCHEMBL3677049 0.82 MAPK14 (0.64) MAPK14LCKCCND1CCNE1CDK2
SCHEMBL4036260 0.81 MAPK14 (0.38) MAPK14LCKPIK3CAMTORCNR2
SCHEMBL918045 0.81 CCNE1 (0.67) MAPK14CCND1CCNE1CDK2CDK6
SCHEMBL917268 0.80 MAPK14 (0.59) MAPK14LCKCCND1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US 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-20090221600-A1 PYRIDO-PYRIDIMIDINE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS PNPO, TPMT, NOD1 MAPK14 1920/4885LCK 469/4885PIK3CA 473/4885

“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.