SCHEMBL647422

SCHEMBL647422

O=c1[nH]c2c(c3ccccc13)Cc1cc(CN3CCC(CCN4CCCC4)CC3)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.49
ACHE P22303 3/20 0.46
KDR P35968 1/20 0.41
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL648939 0.79 PARP1 (0.51) PARP1ROCK2NAMPT
SCHEMBL3064920 0.74 PARP1 (0.48) PARP1KDR
SCHEMBL7904331 0.74 ACHE (0.39) PARP1ACHEKDR
SCHEMBL10263708 0.73 PARP1 (0.67) PARP1
SCHEMBL8307734 0.73 PARP1 (0.67) PARP1
SCHEMBL3062940 0.72 CHEK1 (0.43) PARP1KDR
SCHEMBL2779709 0.71 CHEK1 (0.53) PARP1KDR
SCHEMBL2763303 0.71 PARP1 (0.75) PARP1
SCHEMBL2779985 0.69 KDR (0.46) PARP1KDR
SCHEMBL2780197 0.68 KDR (0.45) PARP1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 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 (2 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-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS PARP1 188/4885ACHE 1151/4885KDR 577/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS PARP1 188/4885ACHE 1151/4885KDR 577/4885

“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.