SCHEMBL4510189

SCHEMBL4510189

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTR2C P28335 1/20 0.40
EGLN2 Q96KS0 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 1/20 0.39
CASP1 P29466 2/20 0.38
TSHR P16473 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3536274 0.86 DPP4 (0.44) MAPTTP53HTR2CALDH1A1KDM4E
SCHEMBL4505734 0.86 EGLN2 (0.40) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL4499615 0.85 MAPT (0.36) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL4506052 0.85 MAPT (0.36) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL5775424 0.84 EGLN2 (0.41) EGLN2KMT2ACYP11B2CYP19A1MRGPRX4
SCHEMBL13613336 0.83 ALDH1A1 (0.38) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL4499619 0.83 TP53 (0.38) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL4507978 0.83 ALDH1A1 (0.37) MAPTTP53HTR2CEGLN2ALDH1A1
SCHEMBL3716845 0.78 ALDH1A1 (0.48) MAPTTP53HTR2CALDH1A1KDM4E
SCHEMBL4493595 0.76 EGLN2 (0.37) EGLN2KDM4EHSD17B10SMN1; SMN2CYP11B2

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 3 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-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 MAPT 3253/4885TP53 3122/4885HTR2C 993/4885

“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.