SCHEMBL13865832

SCHEMBL13865832

Cc1cccc2c1nc(-c1cccc3c(=O)n(CCC#N)sc13)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ CYP1A2 P05177 6/20 0.34
▸ USP2 O75604 5/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ CDK4 P11802 3/20 0.34
▸ CASR P41180 1/20 0.34
▸ CASP1 P29466 6/20 0.33
▸ CASP7 P55210 6/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ HIF1A Q16665 4/20 0.33
▸ MYLK Q15746 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 3/20 0.33

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
SCHEMBL13865822 0.74 MAPT (0.38) MAPTPKMCDK4CASRMAPK1
SCHEMBL13871074 0.72 — —
SCHEMBL14193138 0.71 NPC1 (0.36) MEN1KMT2ACYP1A2USP2CYP3A4
SCHEMBL13865961 0.67 NPC1 (0.36) MEN1KMT2ACYP1A2USP2CYP3A4
SCHEMBL28736752 0.66 ALDH1A1 (0.63) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL92232 0.63 CASP3 (0.60) —
SCHEMBL13865826 0.60 MAPT (0.32) MAPTPKMMAPK1RAB9A
SCHEMBL31448409 0.59 MAPT (0.71) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL13865866 0.58 MAPT (0.49) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL28694505 0.58 MAPT (0.68) KDM4EMAPTPKMMEN1KMT2A

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 KDM4E 2867/4885MAPT 4476/4885PKM 3565/4885

“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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