SCHEMBL3536274

SCHEMBL3536274

COC(=O)c1cnn2c(Cl)c(-c3ccc(Cl)cc3Cl)c(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
CNR1 P21554 5/20 0.42
ALPL P05186 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HTR2C P28335 1/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP1 P29466 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A1 P04798 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL4510189 0.86 MAPT (0.41) DPP4MAPTTP53ALDH1A1KDM4E
SCHEMBL3536230 0.86 DPP4 (0.40) DPP4CNR1ALPLMAPTTP53
SCHEMBL3536164 0.83 DPP4 (0.43) DPP4CNR1ALPLMAPTTP53
SCHEMBL5291917 0.83 CNR1 (0.37) DPP4CNR1ALPLCNR2
SCHEMBL3716845 0.83 ALDH1A1 (0.48) ALPLMAPTTP53ALDH1A1KDM4E
SCHEMBL2792352 0.82 MAPT (0.42) MAPTTP53ALDH1A1KDM4EHTR2C
SCHEMBL25177366 0.78 SMN1; SMN2 (0.50) DPP4MAPTTP53ALDH1A1KDM4E
SCHEMBL3713237 0.77 KDM4E (0.48) MAPTTP53ALDH1A1KDM4EHTR2C
SCHEMBL4507101 0.77 KDM4E (0.46) MAPTTP53ALDH1A1KDM4EHTR2C
SCHEMBL13232459 0.76 KDM4E (0.52) MAPTTP53ALDH1A1KDM4EHTR2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-7781439-B2 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2010-08-24 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 US disclosed
US-20080287463-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2008-11-20 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-20080287463-A1 Pyrazolopyrimidines RRP15, RPLP2, DPYD DPP4 537/4885CNR1 2769/4885ALPL 2221/4885

“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.