SCHEMBL4540588

SCHEMBL4540588

CCOc1nc2cccc(CO)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
TBXAS1 P24557 1/20 0.55
HTR2C P28335 1/20 0.55
AGTR1 P30556 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
PDE3A Q14432 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55
NAE1 Q13564 3/20 0.48

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
SCHEMBL8246138 0.90 AGTR2 (0.50) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL23083143 0.89 AGTR2 (0.53) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL22855845 0.89 AGTR2 (0.54) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL14573949 0.87 AGTR2 (0.50) AGTR2ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL19357208 0.87 AGTR1 (0.73) AGTR2ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL29682351 0.87 AGTR1 (0.73) AGTR2ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL3938 0.87 AGTR1 (0.73) AGTR2ABCB11EGFRERBB2CYP3A4
Candesartan SCHEMBL29508236 0.87 AGTR1 (0.73) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL13302628 0.87 AGTR2 (0.63) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL23083086 0.86 AGTR2 (0.52) AGTR2ABCB11EGFRERBB2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
WO-2007019448-A2 NITRIC OXIDE ENHANCING ANGIOTENSIN II ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-15 WO disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 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 (2 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 AGTR2 569/4885ABCB11 346/4885EGFR 1413/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN AGTR2 1/4885ABCB11 2490/4885EGFR 1448/4885

“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.