SCHEMBL8039008

SCHEMBL8039008

Cc1ccc2c(=O)cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 1.00
ADORA2A P29274 7/20 1.00
CCR8 P51685 1/20 0.47
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL18306004 0.78 ADORA2A (0.65) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL25283774 0.77 ADORA2A (0.62) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL13024472 0.77 ADORA2A (0.62) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL20771276 0.77 ADORA1 (0.62) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL19153433 0.74 ADORA2A (0.59) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL21145512 0.73 ADORA2A (0.57) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL25339234 0.73 ADORA2A (0.57) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL9696233 0.73 ADORA2A (0.62) ADORA1ADORA2AKMT2A
SCHEMBL30614468 0.73 ADORA1 (0.57) ADORA1ADORA2ACCR8KMT2AKDM4E
SCHEMBL343400 0.73 ADORA2A (0.57) ADORA1ADORA2AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-1992007468-A1 HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-14 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 (4 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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ADORA1 3046/4885ADORA2A 1836/4885CCR8 3045/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA1 4484/4885ADORA2A 4582/4885CCR8 1958/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ADORA1 3046/4885ADORA2A 1836/4885CCR8 3045/4885
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO ADORA1 3437/4885ADORA2A 3024/4885CCR8 640/4885

“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.