SCHEMBL1720724

SCHEMBL1720724

O=c1[nH]c2onc(CN3CCCC3)c2c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.40
ACHE P22303 2/20 0.38
KDM5B Q9UGL1 1/20 0.37
TNKS O95271 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
MPO P05164 2/20 0.35
PARP3 Q9Y6F1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1721121 0.86 KMT2A (0.43) PARP1KDM5BKDM4ESMN1; SMN2CDK4
SCHEMBL1721081 0.84 KDM5B (0.41) PARP1KDM5BKDM4ECDK4CCND1
SCHEMBL1720135 0.78 KDM4A (0.35) PARP1KDM5BTNKSPARP2PARP3
SCHEMBL1720922 0.77 PARP1 (0.40) PARP1KDM5BTNKSPARP2KDM4E
SCHEMBL1719923 0.76 PARP1 (0.42) PARP1KDM5BTNKSPARP2KDM4E
Hydrochloric Acid SCHEMBL4069890 0.76 PARP1 (0.41) PARP1KDM5BTNKSPARP2KDM4E
SCHEMBL1720683 0.74 PARP1 (0.42) PARP1PARP3
SCHEMBL1721010 0.71 KMT2A (0.48) PARP1TNKSPARP2KDM4ESMN1; SMN2
SCHEMBL1721096 0.69 PARP1 (0.43) PARP1TNKSPARP2KDM4ESMN1; SMN2
SCHEMBL1720184 0.64 PIM1 (0.47) PARP1SMN1; SMN2CDK4CCND1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 EP 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
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 1/4885ACHE 648/4885KDM5B 2482/4885

“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.