SCHEMBL13865822

SCHEMBL13865822

Cc1cccc2c1nc(-c1cccc3c(=O)[nH]sc13)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ PARP1 P09874 4/20 0.36
▸ PKM P14618 1/20 0.36
▸ CDK4 P11802 5/20 0.36
▸ CASR P41180 1/20 0.35
▸ AURKA O14965 2/20 0.35
▸ TNKS O95271 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ TDP2 O95551 1/20 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
SCHEMBL13865832 0.74 KDM4E (0.35) MAPTPKMCDK4CASRHSD17B10
SCHEMBL28736752 0.71 ALDH1A1 (0.63) MAPTPARP1TNKSTNKS2HSD17B10
SCHEMBL6232605 0.69 ALDH1A1 (0.48) MAPTPARP1TNKSTNKS2
SCHEMBL13865866 0.67 MAPT (0.49) MAPTPARP1PKMCDK4AURKA
SCHEMBL13865826 0.64 MAPT (0.32) MAPTPKMMAPK1RAB9AATM
SCHEMBL31448409 0.64 MAPT (0.71) MAPTPKMHSD17B10MAPK1RAB9A
SCHEMBL28694505 0.62 MAPT (0.68) MAPTPKMHSD17B10MAPK1RAB9A
SCHEMBL6366681 0.62 TLR8 (0.40) PARP1CASRHSD17B10RAB9A
SCHEMBL353025 0.61 CYP1A2 (0.59) AURKAHSD17B10RAB9A
SCHEMBL11304574 0.61 GSR (0.45) MAPTHSD17B10MAPK1RAB9ATDP2

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 MAPT 4476/4885PARP1 2039/4885PKM 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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