SCHEMBL2171332

SCHEMBL2171332

COc1ccc(Br)n2c(Cl)c(C(F)(F)F)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
KDM4E B2RXH2 3/20 0.35
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 6/20 0.32
PDE10A Q9Y233 6/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 3/20 0.31
PDE4B Q07343 1/20 0.31
PDE3A Q14432 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2230894 0.71 CYP11B1 (0.38) KDM4EPDE2APDE10A
SCHEMBL2171761 0.70 PAX8 (0.31)
SCHEMBL2170634 0.69 LMNA (0.39) KDM4ETP53MAPTPDE4BPDE3A
SCHEMBL2217605 0.67 LRRK2 (0.34) KDM4ETP53MAPTPDE4BPDE3A
SCHEMBL18952767 0.66 KDM4E (0.42) ENPP3ENPP1KDM4EXBP1NPSR1
SCHEMBL28000913 0.61 KDM4E (0.43) KDM4EXBP1NPSR1TSHRHTT
SCHEMBL16972477 0.60 PDE10A (0.49) KDM4EPDE10ATP53MAPTLMNA
SCHEMBL20073612 0.60 MCHR1 (0.44) KDM4ENPSR1TSHRHTTHSD17B10
SCHEMBL30358862 0.60 PDE4B (0.43) KDM4ENPSR1TSHRHTTHSD17B10
SCHEMBL31010990 0.60 PDE4B (0.45) KDM4ETSHRPDE4BPDE3AALDH1A1

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 8 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
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 ENPP3 234/4885ENPP1 189/4885KDM4E 1522/4885
US-20110224250-A1 ISOQUINOLINE DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE5A, PDE2A, PDE3A ENPP3 791/4885ENPP1 355/4885KDM4E 1184/4885

“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.