SCHEMBL17682020

SCHEMBL17682020

CCN1C(=O)c2c3c(c4c([nH]c5ccccc54)c4c3c(c3[nH]c5ccccc5c23)C(=O)N(C)C4=O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.53
ROCK2 O75116 2/20 0.50
PRKCA P17252 8/20 0.49
PRKD3 O94806 4/20 0.46
PRKCG P05129 4/20 0.46
PRKCB P05771 4/20 0.46
PRKCH P24723 4/20 0.46
PRKCI P41743 4/20 0.46
PRKCE Q02156 4/20 0.46
PRKCQ Q04759 4/20 0.46
PRKCZ Q05513 4/20 0.46
PRKCD Q05655 4/20 0.46
PRKD1 Q15139 4/20 0.46
CDK4 P11802 5/20 0.46
CCND1 P24385 5/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CAMK2B Q13554 2/20 0.46
CAMK2G Q13555 2/20 0.46
CAMK2D Q13557 2/20 0.46

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
SCHEMBL15959912 0.95 NQO1 (0.58) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL14708732 0.90 ROCK2 (0.58) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL14708734 0.82 NQO1 (0.51) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL17679321 0.82 NQO1 (0.51) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL5438544 0.81 PRKCA (0.71) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL17682035 0.81 GHSR (0.39) NQO1ROCK2CHEK1
SCHEMBL15959914 0.79 NQO1 (0.64) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL14708733 0.75 NQO1 (0.46) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL14708735 0.74 NQO1 (0.46) NQO1ROCK2PRKCAPRKD3PRKCG
SCHEMBL14708729 0.72 NQO1 (0.49) NQO1ROCK2PRKCAPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9444058-B2 Preparation of pi-extended naphthalene diimides and their use as semiconductor BASF SE (DE) 2016-09-13 US disclosed
US-20160104846-A1 PREPARATION OF PI-EXTENDED NAPHTHALENE DIIMIDES AND THEIR USE AS SEMICONDUCTOR CLAP CO., LTD. (KR) 2016-04-14 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 (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-20160104846-A1 PREPARATION OF PI-EXTENDED NAPHTHALENE DIIMIDES AND THEIR USE AS SEMICONDUCTOR PIR, PI4K2B, NES NQO1 292/4885ROCK2 2214/4885PRKCA 3510/4885

“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.