SCHEMBL4501635

SCHEMBL4501635

NNC(=O)c1c[nH]nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.38
P2RX7 Q99572 2/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.36
GFER P55789 2/20 0.36
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 6/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MITF O75030 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
SCHEMBL16572974 0.82 PLK1 (0.38) GAA
SCHEMBL27987384 0.80 KDM4E (0.41) CTSDP2RX7KDM4EALDH1A1GFER
SCHEMBL8080723 0.79
SCHEMBL23888765 0.78 P2RX7 (0.47) CTSDP2RX7KDM4EALDH1A1GFER
SCHEMBL918559 0.77
SCHEMBL357764 0.77
SCHEMBL2794458 0.76 TSHR (0.50) KDM4EALDH1A1GFERMAPTGAA
SCHEMBL12304882 0.75
SCHEMBL15906055 0.72 TSHR (0.31)
SCHEMBL309808 0.72 ALDH1A1 (0.54) KDM4EALDH1A1CYP1A2CYP3A4MAPT

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
CN-1946293-A Pyrazolopyrimidines for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2007-04-11 CN 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 CTSD 3178/4885P2RX7 7/4885KDM4E 2400/4885

“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.