SCHEMBL4147585

SCHEMBL4147585

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
DYRK1A Q13627 1/20 0.38
BRD4 O60885 1/20 0.37
EGFR P00533 3/20 0.36
MAP3K7 O43318 2/20 0.36
TAB1 Q15750 2/20 0.36
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
MAP4K1 Q92918 1/20 0.34
FGFR4 P22455 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34
MTOR P42345 1/20 0.34
NPC1 O15118 1/20 0.34
TNK2 Q07912 1/20 0.34
ACVR1 Q04771 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PARP14 Q460N5 1/20 0.33
CSF1R P07333 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
SCHEMBL4151029 0.94 PIK3CA (0.39) PIK3CAEGFRAKT1AKT2FGFR4
SCHEMBL4137710 0.85 PIK3CA (0.40) PIK3CADYRK1ABRD4EGFRMAP4K1
SCHEMBL4145055 0.84 CCNE1 (0.44)
SCHEMBL3669287 0.83 CCNE1 (0.49)
SCHEMBL3673605 0.83 CCNE1 (0.49)
SCHEMBL4722727 0.83 CCNE1 (0.49)
SCHEMBL4137496 0.82 MAPK14 (0.42) PIK3CAAKT1MTORTNK2
SCHEMBL3670875 0.81 CCNE1 (0.47)
SCHEMBL3671028 0.81 CCNE1 (0.47)
SCHEMBL3679459 0.81 CCNE1 (0.47) EGFR

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 473/4885DYRK1A 2814/4885BRD4 1880/4885

“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.