SCHEMBL4151475

SCHEMBL4151475

Cc1ccccc1-c1cc2cnc(S(C)(=O)=O)nc2n([C@H]2CCOC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
MTOR P42345 2/20 0.43
MAPK14 Q16539 2/20 0.41
LCK P06239 1/20 0.41
LYN P07948 2/20 0.39
BTK Q06187 2/20 0.39
SRC P12931 1/20 0.39
TNK2 Q07912 3/20 0.38
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CDK6 Q00534 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CNR2 P34972 6/20 0.35
CCND3 P30281 1/20 0.35

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
SCHEMBL4147310 0.94 MAPK14 (0.44) PIK3CAMTORMAPK14LCKLYN
SCHEMBL4146658 0.84 PIK3CA (0.43) PIK3CAMTORMAPK14LCKLYN
SCHEMBL4153889 0.83 CCNE1 (0.46) CDK4CCND1CDK6CCNT1CCNE1
SCHEMBL3673204 0.82 MAPK14 (0.57) MAPK14LCKCDK4CCND1CDK6
SCHEMBL3668200 0.81 CCNE1 (0.62) CDK4CCND1CDK6CCNT1CCNE1
SCHEMBL3672972 0.81 CCNE1 (0.62) CDK4CCND1CDK6CCNT1CCNE1
SCHEMBL3669727 0.81 CCNE1 (0.62) CDK4CCND1CDK6CCNT1CCNE1
SCHEMBL4137710 0.81 PIK3CA (0.40) PIK3CAMTORTNK2CDK4CCND1
SCHEMBL3679924 0.81 MAPK14 (0.55) MAPK14LCKCDK4CCND1CDK6
SCHEMBL3673181 0.80 CCNE1 (0.56) CDK4CCND1CDK6CCNT1CCNE1

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 PIK3CA 473/4885MTOR 837/4885MAPK14 1920/4885

“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.