SCHEMBL1784501

SCHEMBL1784501

[CH](c1ncc2ccccc2n1)c1ncc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GPR3 P46089 1/20 0.45
EGFR P00533 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 6/20 0.42
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NCF1 P14598 1/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 2/20 0.36
NQO2 P16083 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
SCHEMBL6600134 0.88 PDGFRB (0.44) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL4812818 0.83 CYP1A2 (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL31511445 0.83 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL2008080 0.83 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL6597825 0.83 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL27545204 0.83 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL2804480 0.83 KDM4E (0.42) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL27910297 0.81 KDM4E (0.41) KDM4EGPR3EGFRALDH1A1MAPT
SCHEMBL29784099 0.78 PDGFRB (0.56) KDM4EALDH1A1MAPTHPGDPDGFRB
SCHEMBL4498563 0.78 PDGFRB (0.56) KDM4EALDH1A1MAPTHPGDPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS IMTM GMBH (DE) 2011-05-19 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-20110117069-A1 METHOD FOR ACTIVATING REGULATORY T-CELLS ANPEP, DNPEP, RNPEP KDM4E 2238/4885GPR3 2737/4885EGFR 1795/4885

“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.