SCHEMBL2170697

SCHEMBL2170697

COc1ccc(Br)c2c1OCN(CO)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
DRD2 P14416 3/20 0.33
ERN1 O75460 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD4 P21917 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL12306884 0.88 KDM4E (0.38) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL2171747 0.68 KDM4E (0.42) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL8572986 0.66 DRD2 (0.39) MAPTALDH1A1HSD17B10DRD2KMT2A
SCHEMBL1429110 0.63 KDM4E (0.54) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL6837756 0.63 ALDH1A1 (0.43) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL6605094 0.63 KDM4E (0.56) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL11363863 0.62 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1KMT2A
SCHEMBL20480683 0.61 MAPT (0.61) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL6839318 0.60 LMNA (0.49) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL1829004 0.60 KDM4E (0.50) KDM4ELMNAMAPTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US disclosed
EP-2351748-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-08-03 EP disclosed
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B KDM4E 1522/4885LMNA 2863/4885MAPT 4548/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A KDM4E 1184/4885LMNA 3682/4885MAPT 3874/4885

“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.