SCHEMBL4356218

SCHEMBL4356218

C=Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.56
▸ CCNB1 P14635 5/20 0.56
▸ CCNE1 P24864 5/20 0.56
▸ CDK2 P24941 5/20 0.56
▸ ADORA2A P29274 4/20 0.40
▸ AHCY P23526 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ ADORA1 P30542 2/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90B1 P14625 1/20 0.33

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
SCHEMBL5138537 0.83 CDK1 (0.41) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL27635727 0.83 CDK1 (0.58) CDK1ADORA2AHSP90AA1ADORA1LMNA
SCHEMBL7063138 0.78 CDK1 (0.64) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4123842 0.76 ADORA2A (0.59) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL29729351 0.76 ADORA2A (0.59) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL4864331 0.76 ADORA2A (0.59) ADORA2AAHCYADORA1PI4KAPI4K2B
SCHEMBL27516653 0.75 CCNE1 (0.70) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL27983442 0.75 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4361005 0.74 ADORA1 (0.45) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14677581 0.74 CCNE1 (0.40) CDK1CCNB1CCNE1CDK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065365-A2 Functional monomers for molecular recognition and catalysis MIP Technologies AB (SE) 2009-06-03 — — EP disclosed
EP-1927604-A1 Functional monomers for molecular recognition and catalysis MIP Technologies AB (SE) 2008-06-04 — — EP disclosed
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-7208557-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-04-24 — — US disclosed
US-7208557-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2007-04-24 — — US disclosed
US-20050159570-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB, RESEARCH PARK IDEON (SE) 2005-07-21 — — US disclosed
US-6870021-B2 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2005-03-22 — — US disclosed
US-20030166798-A1 Functional monomers for molecular recognition and catalysis MIP TECHNOLOGIES AB (SE) 2003-09-04 — — US disclosed
EP-1250315-A1 FUNCTIONAL MONOMERS FOR MOLECULAR RECOGNITION AND CATALYSIS MIP Technologies AB (SE) 2002-10-23 — — EP disclosed
WO-2001055095-A1 FUNCTIONAL MONOMERS FOR MOLECULAR RECOGNITION AND CATALYSIS MIP TECHNOLOGIES AB (SE) 2001-08-02 — — WO 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 CDK1 2842/4885CCNB1 2067/4885CCNE1 3947/4885

“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