SCHEMBL587500

SCHEMBL587500

O=Cc1cncc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
HASPIN Q8TF76 1/20 0.47
CYP2A6 P11509 2/20 0.43
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
IMPDH2 P12268 4/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL2011044 0.88 CCNT1 (0.49) ERN1CCNT1CDK9HASPINCYP2A6
SCHEMBL29935732 0.82 CYP2D6 (0.53) ERN1CCNT1CDK9HASPINHTT
SCHEMBL844312 0.82 CYP2D6 (0.53) ERN1CCNT1CDK9HASPINHTT
SCHEMBL30431216 0.81 IMPDH2 (0.49) ERN1CCNT1CDK9HASPINHTT
SCHEMBL29956340 0.81 ERN1 (0.50) ERN1CYP2A6KDM4ELMNAALDH1A1
SCHEMBL30431175 0.81 IMPDH2 (0.49) ERN1CCNT1CDK9HASPINHTT
SCHEMBL1351597 0.81 ERN1 (0.50) ERN1CYP2A6KDM4ELMNAALDH1A1
SCHEMBL27600620 0.79 ERN1 (0.49) ERN1CYP2A6KDM4ELMNAALDH1A1
Bromide SCHEMBL8728642 0.79 ERN1 (0.49) ERN1CYP2A6KDM4ELMNAALDH1A1
SCHEMBL29955436 0.77 KMT2A (0.46) ERN1CCNT1CDK9HASPINCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 US disclosed
EP-3307724-A1 SELECTIVE ANTI-CANCER COMPOUNDS National University of Singapore (SG) 2018-04-18 EP disclosed
CN-107922383-A Selective anticancer compound 新加坡国立大学 2018-04-17 CN disclosed
WO-2016200339-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-15 WO disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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-10308631-B2 Selective anti-cancer compounds CCNA1, CCNY, CCNT1 ERN1 1396/4885CCNT1 3/4885CDK9 101/4885
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS CCNA1, CCNY, CCNT1 ERN1 1396/4885CCNT1 3/4885CDK9 101/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ERN1 3462/4885CCNT1 142/4885CDK9 749/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ERN1 2050/4885CCNT1 320/4885CDK9 34/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ERN1 3462/4885CCNT1 142/4885CDK9 749/4885

“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.