SCHEMBL4074502

SCHEMBL4074502

Cc1[nH]c(=O)c2cc(F)ccc2c1C1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.47
PARP1 P09874 6/20 0.47
TNKS2 Q9H2K2 4/20 0.47
CCR3 P51677 3/20 0.47
JAK2 O60674 1/20 0.41
HTR2A P28223 1/20 0.40
HTR6 P50406 2/20 0.40
PLG P00747 1/20 0.39

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
SCHEMBL4079404 0.93 PARP1 (0.43) TNKSPARP1TNKS2CCR3JAK2
SCHEMBL4076737 0.87 TSHR (0.44) TNKSPARP1TNKS2CCR3HTR2A
SCHEMBL4068281 0.86 CCR3 (0.49) PARP1CCR3
SCHEMBL4078598 0.86 CCR3 (0.52) PARP1CCR3HTR2A
SCHEMBL4073316 0.85 OPRM1 (0.48) TNKSPARP1TNKS2HTR2AHTR6
SCHEMBL4078326 0.84 PARP1 (0.48) TNKSPARP1TNKS2CCR3HTR2A
SCHEMBL4069626 0.84 HTR2A (0.56) TNKSPARP1TNKS2HTR2A
SCHEMBL4075963 0.83 CCR3 (0.46) PARP1CCR3
SCHEMBL4080486 0.83 CCR3 (0.46) PARP1CCR3HTR2A
SCHEMBL4073519 0.80 CCNT1 (0.39) HTR2A

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-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
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
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 TNKS 127/4885PARP1 1/4885TNKS2 282/4885

“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.