SCHEMBL2054791

SCHEMBL2054791

C=CCn1cnc2c(Cl)nc(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 0.52
HSP90AA1 P07900 14/20 0.52
HDAC6 Q9UBN7 5/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC4 P56524 1/20 0.50
HSP90B1 P14625 1/20 0.47
TRAP1 Q12931 1/20 0.47

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
SCHEMBL1355050 0.84 P2RX7 (0.48) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL29601580 0.84 P2RX7 (0.48) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL7063138 0.84 CDK1 (0.64) HSP90AB1HSP90AA1
SCHEMBL9563426 0.82 HSP90AB1 (0.50) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL9563423 0.82 HSP90AB1 (0.50) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL30586349 0.82 CCNE1 (0.45) HSP90AB1HSP90AA1
SCHEMBL7057757 0.82 CCNE1 (0.45) HSP90AB1HSP90AA1
SCHEMBL30586395 0.82 HSP90AA1 (0.48) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL5999067 0.82 ALDH1A1 (0.40) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL10509931 0.81 AHCY (0.57) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 US disclosed
EP-1017394-B1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER REC TECH LTD (GB) 2005-12-07 EP disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 HSP90AB1 3886/4885HSP90AA1 3433/4885HDAC6 4570/4885

“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.