SCHEMBL4494475

SCHEMBL4494475

CC(C)C(C)Nc1c(-c2ccc(F)cc2Cl)c(Cl)nc2c(C=O)cnn12

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK14 Q16539 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CSNK2B P67870 1/20 0.30

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
SCHEMBL4692686 0.91 SCN10A (0.31)
SCHEMBL14360022 0.81 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL5234918 0.81 GRM2 (0.33) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL4497343 0.81 HSD11B1 (0.31) MEN1KMT2A
SCHEMBL14340723 0.78
SCHEMBL4507666 0.76 GSK3B (0.36) CNR1CNR2
SCHEMBL14464262 0.74 PTPN11 (0.37) ALDH1A1CNR1CNR2
SCHEMBL4489875 0.74 ADAM17 (0.32)
SCHEMBL13606351 0.74 JAK2 (0.43) KDM4EMEN1ALDH1A1HPGDTSHR
SCHEMBL4499049 0.74 SCN10A (0.33)

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
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO 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 KDM4E 2400/4885MEN1 2381/4885ALDH1A1 535/4885

“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.