SCHEMBL4079404

SCHEMBL4079404

Cc1[nH]c(=O)c2cc(F)ccc2c1C1CCN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
TNKS O95271 6/20 0.43
TNKS2 Q9H2K2 4/20 0.43
CCR3 P51677 3/20 0.43
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
JAK2 O60674 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTR6 P50406 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A4 P31645 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 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
SCHEMBL4074502 0.93 TNKS (0.47) PARP1TNKSTNKS2CCR3JAK2
SCHEMBL4075963 0.86 CCR3 (0.46) PARP1CCR3DRD2HTR2CSLC6A4
SCHEMBL4078373 0.85 OPRM1 (0.47) PARP1HSD11B1HTR6DRD2HTR2A
SCHEMBL4080486 0.85 CCR3 (0.46) PARP1CCR3CCNT1CDK9DRD2
SCHEMBL4075900 0.83 HTR2A (0.49) PARP1TNKSTNKS2HSD11B1DRD2
SCHEMBL4068281 0.82 CCR3 (0.49) PARP1CCR3DRD2SLC6A4
SCHEMBL4078598 0.81 CCR3 (0.52) PARP1CCR3CDK9DRD2HTR2A
SCHEMBL4078326 0.80 PARP1 (0.48) PARP1TNKSTNKS2CCR3HTR6
SCHEMBL4076737 0.80 TSHR (0.44) PARP1TNKSTNKS2CCR3CCNT1
SCHEMBL4073519 0.78 CCNT1 (0.39) CCNT1CDK9HTR2AHTR2CKCNH2

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 PARP1 1/4885TNKS 127/4885TNKS2 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.