SCHEMBL2172464

SCHEMBL2172464

CCOC(=O)c1c(C(F)(F)F)nn2c(OC)ccc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.43
PDE4D Q08499 3/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE4B Q07343 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3219443 0.85 PLAT (0.43) PLATPDE4DPOLBRXFP1PDE4B
SCHEMBL2170335 0.82 PDE4D (0.42) PDE4DPOLBMAPTMEN1KMT2A
SCHEMBL2171031 0.79 PDE4B (0.57) PLATPDE4DPOLBPDE4BGAA
SCHEMBL3216185 0.77 KDM4E (0.41) PLATPOLBPDE4BGAAKDM4E
SCHEMBL2967367 0.77 PDE4D (0.38) PLATPDE4DPOLBMAPTKMT2A
SCHEMBL2171373 0.74 KDM4E (0.39) PDE4BTSHRKDM4EALDH1A1NPSR1
SCHEMBL2172467 0.69 KDM4E (0.40) PLATPOLBRXFP1PDE4BMAPT
SCHEMBL20088523 0.68 PLAT (0.43) PLATPDE4DPOLBPDE4BMAPT
SCHEMBL20094614 0.68 PLAT (0.42) PLATPDE4BALOX15TSHRKDM4E
SCHEMBL3222801 0.68 PDE4D (0.41) PDE4DPOLBMAPTUSP2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269418-A1 BORATE DERIVATIVE AND USES THEREOF Reistone Biopharma Company Limited (CN) 2023-11-01 EP disclosed
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
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-09-15 US 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
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 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 (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 PLAT 1196/4885PDE4D 13/4885POLB 1744/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A PLAT 2197/4885PDE4D 13/4885POLB 1673/4885

“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.