SCHEMBL4513974

SCHEMBL4513974

CCC(C)c1c(Cl)nc2c(C(=O)O)cnn2c1NCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4511725 0.91 HTR2C (0.38) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL4875106 0.83 CSNK2B (0.32) TP53LMNAMAPT
SCHEMBL13606367 0.83 GBA1 (0.40) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL4513969 0.83 GBA1 (0.40) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL13606365 0.80 GBA1 (0.40) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL4499877 0.78 ALDH1A1 (0.40) MEN1KMT2ATP53KDM4EHSD17B10
SCHEMBL4511720 0.74 HTR2C (0.39) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL13606366 0.74 HTR2C (0.39) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL4874084 0.73 GBA1 (0.39) GBA1MEN1KMT2ATP53KDM4E
SCHEMBL4493601 0.73 TP53 (0.39) MEN1KMT2ATP53KDM4EHSD17B10

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 GBA1 2709/4885MEN1 2381/4885KMT2A 3755/4885

“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.