SCHEMBL3549167

SCHEMBL3549167

Nc1cnccc1C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.50
CDK8 P49336 7/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3549163 1.00 CCNC (0.50) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL3539831 0.86 CCNC (0.47) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL3539836 0.86 CCNC (0.47) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL4071696 0.80 CCNC (0.54) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL23580797 0.79 CCNC (0.73) CCNCCDK8KDM4EALDH1A1CA1
SCHEMBL23580798 0.79 CCNC (0.73) CCNCCDK8KDM4EALDH1A1CA1
SCHEMBL9756928 0.79 CCNC (0.50) CCNCCDK8KDM4EALDH1A1TDP1
SCHEMBL23579958 0.79 MIF (0.53) CCNCCDK8KDM4EALDH1A1CA1
SCHEMBL9756966 0.79 CCNC (0.50) CCNCCDK8KDM4EALDH1A1MEN1
SCHEMBL23579960 0.79 MIF (0.53) CCNCCDK8KDM4EALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-9174992-B2 Heterobicyclic compounds AMGEN INC. (US) 2015-11-03 US disclosed
EP-2820014-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Amgen Inc. (US) 2015-01-07 EP disclosed
WO-2013130890-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
US-20130225552-A1 HETEROBICYCLIC COMPOUNDS AMGEN INC. (US) 2013-08-29 US disclosed
US-8198282-B2 Substituted azaquinazolines having an antiviral action AICURIS GMBH & CO. KG (DE) 2012-06-12 US disclosed
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 US disclosed
US-7662822-B2 Substituted azaquinazolines having an antiviral action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-16 US disclosed
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride BAYER HEALTHCARE AG (DE) 2008-06-05 US disclosed
CN-1980925-A Substituted azaquinazolines with antiviral activity AICURIS GMBH & CO KG (DE) 2007-06-13 CN 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-20130225552-A1 HETEROBICYCLIC COMPOUNDS PDE10A, PDE1B, PDE9A CCNC 3507/4885CDK8 1891/4885KDM4E 3889/4885
US-20080132515-A1 antiviral agents, in particular against cytomegaloviruses; {2-[4-(4-Fluorophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrido[3,4-d]-pyrimidin-4-yl}acetic acid hydrochloride ZC3HAV1, EIF2AK2, IRF3 CCNC 190/4885CDK8 155/4885KDM4E 1009/4885
US-20100179174-A1 SUBSTITUTED AZAQUINAZOLINES HAVING AN ANTIVIRAL ACTION EIF2AK2, TPMT, IRF3 CCNC 348/4885CDK8 32/4885KDM4E 1156/4885

“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.