SCHEMBL4513969

SCHEMBL4513969

CCC(C)c1c(Cl)nc2c(C(=O)O)cnn2c1N[C@@H](C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARA Q07869 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 2/20 0.32
HKDC1 Q2TB90 1/20 0.32

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
SCHEMBL13606367 1.00 GBA1 (0.40) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4511720 0.90 HTR2C (0.39) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13606366 0.90 HTR2C (0.39) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13606365 0.86 GBA1 (0.40) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4513974 0.83 GBA1 (0.41) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4875091 0.82 CSNK2B (0.31)
SCHEMBL14280912 0.80 CDK2 (0.49) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4874084 0.79 GBA1 (0.39) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13606364 0.77 KDM4E (0.40) GBA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13606374 0.76 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1HSD17B10

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 4 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-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.