SCHEMBL1778280

SCHEMBL1778280

C=CCCc1cnccn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.31
VNN1 O95497 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2946259 0.85 TDP1 (0.38) HDAC1
SCHEMBL8922558 0.85 TDP1 (0.38) HDAC1
SCHEMBL3301973 0.79 HDAC3 (0.36) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL11515740 0.79 HSP90AA1 (0.33) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL253297 0.78
Pyrazine SCHEMBL28089293 0.77 IMPDH2 (0.35) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL27866178 0.76 HRH1 (0.33) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL294804 0.76
SCHEMBL28362525 0.75 HSP90AA1 (0.40) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL293167 0.72 HSP90AA1 (0.34) HSP90AA1CYP1A2HDAC3HDAC1HDAC2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107057830-B A kind of method of near-infrared pretreatment auxiliary aqueous enzymatic extraction rapeseed oil 江南大学 2019-09-03 CN disclosed
CN-107057830-A A kind of method of near-infrared pretreatment auxiliary aqueous enzymatic extraction rapeseed oil 江南大学 2017-08-18 CN disclosed
EP-1713794-B1 HETEROCYCLE GRAFTED MONOMERS AND RELATED POLYMERS AND HYBRID INORGANIC-ORGANIC POLYMER MEMBRANES TOYOTA TECHNICAL CT U S A INC (US) 2014-05-07 EP disclosed
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
WO-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
CN-1413213-A Azaindoles AVENTIS PHARMA LTD (GB) 2003-04-23 CN disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
US-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 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 (3 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 HSP90AA1 2955/4885CYP1A2 916/4885HDAC3 119/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 HSP90AA1 3045/4885CYP1A2 131/4885HDAC3 527/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 HSP90AA1 3822/4885CYP1A2 621/4885HDAC3 185/4885

“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.