SCHEMBL4151029

SCHEMBL4151029

CSc1ncc2cc(-c3ccccc3C)c(=O)n([C@H]3CCN(C(=O)O)C3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
AKT1 P31749 3/20 0.37
AKT2 P31751 3/20 0.37
EGFR P00533 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 1/20 0.36
FGFR4 P22455 1/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
TNK2 Q07912 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL4147585 0.94 PIK3CA (0.38) PIK3CAAKT1AKT2EGFRRXFP1
SCHEMBL4145055 0.84 CCNE1 (0.44) CDK4CCND1CDK2
SCHEMBL4137496 0.83 MAPK14 (0.42) PIK3CAAKT1LYNSRCBTK
SCHEMBL4146658 0.81 PIK3CA (0.43) PIK3CALYNSRCBTKTNK2
Hydrochloric Acid SCHEMBL4146913 0.80 SRC (0.39) PIK3CAFGFR4LYNSRCBTK
SCHEMBL3671028 0.80 CCNE1 (0.47) CDK4CCND1CDK2MAPK14
SCHEMBL3670875 0.80 CCNE1 (0.47) CDK4CCND1CDK2MAPK14
SCHEMBL20674136 0.80 PIK3CA (0.50) PIK3CAEGFRSRCMAPK14
SCHEMBL29785409 0.80 PIK3CA (0.50) PIK3CAEGFRSRCMAPK14
SCHEMBL16416277 0.79 PAK1 (0.48)

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 473/4885AKT1 2830/4885AKT2 3219/4885

“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.