SCHEMBL4509045

SCHEMBL4509045

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PDE4B Q07343 2/20 0.33
DPP4 P27487 1/20 0.33
HCAR3 P49019 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSP90AA1 P07900 1/20 0.33
EIF4E P06730 1/20 0.33
TYK2 P29597 4/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GBA1 P04062 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LDHA P00338 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
SCHEMBL4513063 0.84 EGLN2 (0.37) KDM4EDPP4EIF4EHSD17B10
SCHEMBL4509051 0.80 DPP4 (0.37) PIM1CSNK2A1PIM2KDM4EDPP4
SCHEMBL4506052 0.77 MAPT (0.36) KDM4EDPP4ALDH1A1POLBMAPT
SCHEMBL13606351 0.76 JAK2 (0.43) KDM4EPDE4BTYK2ALDH1A1HSD17B10
SCHEMBL4509127 0.76 TP53 (0.43) KDM4EADORA3ADORA2AADORA1TYK2
SCHEMBL14359757 0.75 TP53 (0.35) KDM4EALDH1A1POLBMAPTHSD17B10
SCHEMBL13613292 0.73 IRAK4 (0.36) KDM4EDPP4EIF4E
SCHEMBL13606395 0.73 TYK2 (0.38) KDM4EPDE4BTYK2ALDH1A1HSD17B10
SCHEMBL5774051 0.73 EGLN2 (0.35)
SCHEMBL5749050 0.73 EGLN2 (0.35)

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 2 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-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 PIM1 1074/4885CSNK2A1 3317/4885PIM2 755/4885

“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.