SCHEMBL3443155

SCHEMBL3443155

Cc1cccc2c(=O)[nH]c(C3CCNC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.44
TNKS O95271 2/20 0.42
HTR2C P28335 4/20 0.40
PARP1 P09874 2/20 0.40
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 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
Hydrochloric Acid SCHEMBL3443035 0.99 PARP14 (0.43) PARP14TNKSHTR2CPARP1CCNK
SCHEMBL3442265 0.92 TNKS (0.46) PARP14TNKSHTR2CPARP1BRD4
Hydrochloric Acid SCHEMBL3442524 0.90 HTR2C (0.47) PARP14TNKSHTR2CPARP1BRD4
SCHEMBL6646094 0.78 TNKS (0.50) PARP14TNKSPARP1
Hydrochloric Acid SCHEMBL3442222 0.78 KDM4E (0.44)
SCHEMBL6645436 0.77 PARP1 (0.44) PARP14TNKSPARP1
SCHEMBL6644271 0.76 PARP1 (0.43) TNKSPARP1BRD4ATAD2
SCHEMBL6642750 0.76 PARP1 (0.43) PARP14TNKSPARP1
SCHEMBL6645162 0.76 PARP1 (0.46) PARP14TNKSPARP1
SCHEMBL6647500 0.75 TNKS (0.46) PARP14TNKSPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812178-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-12 US disclosed
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 US disclosed
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 US disclosed
EP-1557414-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-07-27 EP disclosed
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 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 (3 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-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof NQO1, PARP1, PARP11 PARP14 6/4885TNKS 193/4885HTR2C 2493/4885
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 PARP14 7/4885TNKS 201/4885HTR2C 2471/4885
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 PARP14 7/4885TNKS 201/4885HTR2C 2471/4885

“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.