SCHEMBL20186915

SCHEMBL20186915

CC(=O)c1cnccc1-c1cnn(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.52
▸ CCNC P24863 4/20 0.50
▸ CDK8 P49336 4/20 0.50
▸ BRD4 O60885 2/20 0.47
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ INCENP Q9NQS7 1/20 0.46
▸ TPX2 Q9ULW0 1/20 0.46
▸ IKBKE Q14164 1/20 0.45
▸ TBK1 Q9UHD2 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ CDK19 Q9BWU1 2/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL31048540 0.81 PDK2 (0.55) CCNCCDK8BRD4CHEK1PDK2
SCHEMBL30527143 0.78 SLC22A12 (0.54) SLC22A12CCNCCDK8AURKAAURKB
SCHEMBL23753783 0.77 PDK2 (0.48) BRD4IKBKETBK1PDK2GRM2
SCHEMBL28978238 0.74 AURKB (0.50) SLC22A12CCNCCDK8BRD4AURKA
SCHEMBL30288907 0.74 AURKB (0.50) SLC22A12CCNCCDK8BRD4AURKA
SCHEMBL14840407 0.74 CCNC (0.57) SLC22A12CCNCCDK8BRD4AURKA
SCHEMBL18491331 0.73 CCNC (0.73) SLC22A12CCNCCDK8CDK19
SCHEMBL18491330 0.73 CCNC (0.73) SLC22A12CCNCCDK8CDK19
SCHEMBL27982333 0.73 ALDH1A1 (0.49) SLC22A12IKBKEMAPTMKNK1MKNK2
SCHEMBL18491821 0.72 CCNC (0.68) SLC22A12CCNCCDK8MKNK1MKNK2

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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 SLC22A12 3369/4885CCNC 130/4885CDK8 35/4885

“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.

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