SCHEMBL5881733

SCHEMBL5881733

CC(=O)Nc1ccc(NCC2CC2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.56
PIK3C3 Q8NEB9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
NAMPT P43490 1/20 0.42
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
VCP P55072 1/20 0.40
RORC P51449 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL584389 0.94 PTGER4 (0.51) PTGER4PIK3C3TDP1MAPK14ALDH1A1
SCHEMBL3970983 0.93 PTGER4 (0.50) PTGER4PIK3C3TDP1MAPK14ALDH1A1
SCHEMBL1609124 0.91 PTGER4 (0.48) PTGER4PIK3C3TDP1MAPK14ALDH1A1
SCHEMBL584850 0.89 PTGER4 (0.46) PTGER4PIK3C3TDP1MAPK14ALDH1A1
SCHEMBL5881896 0.86 PTGER4 (0.57) PTGER4PIK3C3TDP1ALDH1A1LIPC
SCHEMBL24320321 0.84 TDP1 (0.44) PTGER4TDP1ALDH1A1HDAC1HDAC3
SCHEMBL26914476 0.84 TDP1 (0.44) PTGER4TDP1ALDH1A1HDAC1HDAC3
SCHEMBL3930758 0.81 PTGER4 (0.51) PTGER4ALDH1A1LIPCLIPGKDM4E
SCHEMBL3070660 0.81 HTT (0.58) TDP1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL13876936 0.81 PTGER4 (0.51) PTGER4ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-13 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949978-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9949977-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2847190-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-03-18 EP disclosed
WO-2013167495-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-14 WO disclosed
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
CN-1250531-C Novel compounds ASTRAZENECA AB (SE) 2006-04-12 CN disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
CN-1503787-A Novel compounds 2004-06-09 CN disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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 (5 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 PTGER4 188/4885PIK3C3 4428/4885TDP1 3487/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP PTGER4 3754/4885PIK3C3 1004/4885TDP1 151/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PTGER4 3754/4885PIK3C3 1004/4885TDP1 151/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PTGER4 3754/4885PIK3C3 1004/4885TDP1 151/4885
US-20180256576-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP PTGER4 3754/4885PIK3C3 1004/4885TDP1 151/4885

“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.