SCHEMBL12287705

SCHEMBL12287705

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOc3ccccc3)c2cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.69
▸ MEN1 O00255 5/20 0.69
▸ MAPT P10636 5/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ HTT P42858 4/20 0.69
▸ USP2 O75604 3/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ IDO1 P14902 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.69
▸ HAT1 O14929 4/20 0.53
▸ RBBP7 Q16576 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ RECQL P46063 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ BRCA1 P38398 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TST Q16762 2/20 0.53
▸ MAPK1 P28482 2/20 0.53

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
SCHEMBL12287057 0.88 MAPT (0.53) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL12287031 0.85 MEN1 (0.66) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL29959592 0.84 MEN1 (0.77) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL14335748 0.84 MEN1 (0.77) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL12287176 0.84 MEN1 (0.63) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL12286976 0.83 MEN1 (0.62) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL12287179 0.82 MEN1 (0.61) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL29603980 0.81 MEN1 (1.00) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL13957710 0.81 MEN1 (0.76) KMT2AMEN1MAPTKDM4EHTT
SCHEMBL864121 0.81 MEN1 (0.60) KMT2AMEN1MAPTKDM4EHTT

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-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — WO 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3363/4885MEN1 4701/4885MAPT 4531/4885

“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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