SCHEMBL2170335

SCHEMBL2170335

CCOC(=O)c1c(CC)nn2c(OC)ccc(Br)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL3222801 0.84 PDE4D (0.41) PDE4DMAPTUSP2GAATSHR
SCHEMBL2172464 0.82 PLAT (0.43) PDE4DMAPTMEN1KMT2AALOX15
SCHEMBL3218428 0.70 PDE4B (0.32) PDE4DMAPTMEN1KMT2AALOX15
SCHEMBL13851079 0.70 ADORA3 (0.41) PDE4DGAATSHRALDH1A1ADORA3
SCHEMBL2968495 0.69 PDE4D (0.40) PDE4DMAPTGAATSHRALDH1A1
SCHEMBL3219443 0.68 PLAT (0.43) PDE4DMAPTGAAALDH1A1ADORA3
SCHEMBL28467069 0.67 PDE4D (0.45) PDE4DMAPTMEN1KMT2AGAA
SCHEMBL2967367 0.66 PDE4D (0.38) PDE4DMAPTKMT2AGAAALDH1A1
SCHEMBL3225581 0.66 PDE4D (0.38) PDE4DMAPTMEN1KMT2AGAA
SCHEMBL20345577 0.66 CA12 (0.45) PDE4DMAPTMEN1KMT2ATSHR

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
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

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 PDE4D 13/4885MAPT 4548/4885MEN1 3307/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A PDE4D 13/4885MAPT 3874/4885MEN1 3211/4885

“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.