SCHEMBL1720862

SCHEMBL1720862

CN1CCN(Cc2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.55
TNKS O95271 1/20 0.44
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
HTR3A P46098 1/20 0.41
KAT2B Q92831 1/20 0.41
HTR6 P50406 1/20 0.40
PARP14 Q460N5 1/20 0.39
MC4R P32245 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK1D P48730 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
SCHEMBL1719750 0.91 PARP1 (0.56) PARP1KDM5BKAT2BPARP14GAA
SCHEMBL4068289 0.90 PARP1 (0.55) PARP1KDM5BKAT2BPARP14GAA
Hydrochloric Acid SCHEMBL1719747 0.89 PARP1 (0.54) PARP1KDM5BKAT2BPARP14GAA
SCHEMBL1720808 0.89 PARP1 (0.51) PARP1KDM4BKDM5BGAANPSR1
SCHEMBL1720304 0.88 PARP1 (0.53) PARP1TNKSGAA
Hydrochloric Acid SCHEMBL4071850 0.88 PARP1 (0.50) PARP1KDM4BKDM5BGAANPSR1
SCHEMBL1720648 0.84 PARP1 (0.62) PARP1PARP14
SCHEMBL1720175 0.82 PARP1 (0.57) PARP1PARP14POLBPIM1
SCHEMBL1720185 0.82 PARP1 (0.57) PARP1PARP14POLBPIM1
SCHEMBL1720174 0.82 PARP1 (0.57) PARP1PARP14POLBPIM1

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-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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 (1 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 PARP1 1/4885TNKS 127/4885KDM4A 3372/4885

“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.