SCHEMBL4513063

SCHEMBL4513063

CC(C)[C@@H](C)Nc1c(-c2ccc(C#N)cc2Cl)c(Cl)nc2c(C(=O)O)cnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.37
SLC22A12 Q96S37 1/20 0.35
EIF4E P06730 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP11B2 P19099 2/20 0.33
DPP4 P27487 1/20 0.33
CYP11B1 P15538 1/20 0.33
HSD17B10 Q99714 2/20 0.32
NR3C1 P04150 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CDK2 P24941 1/20 0.31
CYP19A1 P11511 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4493595 1.00 EGLN2 (0.37) EGLN2SLC22A12EIF4EKDM4ECYP11B2
SCHEMBL4506052 0.92 MAPT (0.36) EGLN2SLC22A12KDM4ECYP11B2DPP4
SCHEMBL4499615 0.92 MAPT (0.36) EGLN2SLC22A12KDM4ECYP11B2DPP4
SCHEMBL13613292 0.89 IRAK4 (0.36) EGLN2SLC22A12EIF4EKDM4EDPP4
SCHEMBL5749050 0.88 EGLN2 (0.35) EGLN2SLC22A12CYP11B2CYP11B1NR3C1
SCHEMBL5774051 0.88 EGLN2 (0.35) EGLN2SLC22A12CYP11B2CYP11B1NR3C1
SCHEMBL5768799 0.86 EGLN2 (0.37) EGLN2SLC22A12CYP11B2CYP11B1NR3C1
SCHEMBL5771739 0.86 EGLN2 (0.37) EGLN2SLC22A12CYP11B2CYP11B1NR3C1
SCHEMBL4493601 0.85 TP53 (0.39) EGLN2SLC22A12EIF4EKDM4EDPP4
SCHEMBL4509045 0.84 PIM1 (0.35) EIF4EKDM4EDPP4HSD17B10

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
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 EGLN2 3796/4885SLC22A12 4536/4885EIF4E 3225/4885

“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.