SCHEMBL3132802

SCHEMBL3132802

Cc1ccn2nc(O)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
COMT P21964 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
AHR P35869 1/20 0.34
PDE10A Q9Y233 2/20 0.34
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
NOS1 P29475 1/20 0.32
TYK2 P29597 1/20 0.31
PIK3CG P48736 1/20 0.31
HTR6 P50406 2/20 0.31

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
SCHEMBL545249 0.82 KDM4E (0.50) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL3345939 0.77 KDM4E (0.47) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL16478033 0.77 PIK3CG (0.50) KDM4EALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL20048908 0.76 CSNK1A1 (0.45) KDM4EALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL21097673 0.76 KDM4E (0.36) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL23728535 0.75 APOBEC3A (0.53) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL2749583 0.74 RAB9A (0.58) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL21033151 0.72 KDM4E (0.48) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL5063124 0.72 KDM4E (0.40) KDM4EALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL10591740 0.70 KDM4E (0.33) KDM4EALDH1A1L3MBTL1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION DREXEL UNIVERSITY (US) 2010-03-25 US disclosed
US-4067970-A NEMATOCIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 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-20100075993-A1 SMALL MOLECULE INHIBITORS AGAINST WEST NILE VIRUS REPLICATION MAVS, ZC3HAV1, KDM4E KDM4E 3/4885ALDH1A1 4768/4885RAB9A 2522/4885

“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.