SCHEMBL4864331

SCHEMBL4864331

C=Cn1cnc2c(N)ncnc21.C=Cn1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.59
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ADORA1 P30542 6/20 0.55
▸ PI4KA P42356 5/20 0.54
▸ PI4K2B Q8TCG2 5/20 0.54
▸ PI4K2A Q9BTU6 5/20 0.54
▸ PI4KB Q9UBF8 5/20 0.54
▸ ADORA2B P29275 2/20 0.51
▸ AHCY P23526 6/20 0.50

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
SCHEMBL4123842 1.00 ADORA2A (0.59) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL29729351 1.00 ADORA2A (0.59) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL8540979 0.79 ADORA2A (0.56) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL13811638 0.78 SRC (0.47) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL9192712 0.78 SRC (0.44) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL4120696 0.78 FGFR1 (0.45) ADORA2AKDM4ELMNA
SCHEMBL1798270 0.77 ADORA2A (0.72) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4356218 0.76 CDK1 (0.56) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL2560690 0.76 KDM4E (0.50) ADORA2AKDM4ELMNAADORA1PI4KA
SCHEMBL2560694 0.76 KDM4E (0.50) ADORA2AKDM4ELMNAADORA1PI4KA

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-7332553-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2008-02-19 — — US disclosed
US-20070106041-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-05-10 — — US disclosed
US-20050159570-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB, RESEARCH PARK IDEON (SE) 2005-07-21 — — 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-20070106041-A1 Functional monomers for molecular recognition and catalysis PCNA, MUS81, PNMT ADORA2A 4199/4885KDM4E 1566/4885LMNA 3374/4885

“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.

Send feedback