SCHEMBL864700

SCHEMBL864700

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC=O)c2cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 4/20 0.53
RBBP7 Q16576 4/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
IDO1 P14902 1/20 0.53
RECQL P46063 3/20 0.52
TDP2 O95551 2/20 0.52
NGF P01138 1/20 0.52
NTRK1 P04629 1/20 0.52
BLM P54132 1/20 0.52
CASP7 P55210 3/20 0.51
CASP1 P29466 2/20 0.51
BRCA1 P38398 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL864130 0.90 KMT2A (0.63) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL864331 0.83 MEN1 (0.57) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL864918 0.80 MEN1 (0.69) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL12959321 0.80 KMT2A (0.61) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL1052556 0.79 MEN1 (0.53) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL12288699 0.79 HAT1 (0.56) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL27872121 0.78 MEN1 (0.53) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL864240 0.78 MEN1 (0.85) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL2553799 0.78 MEN1 (0.52) HAT1RBBP7MEN1KMT2AUSP2
SCHEMBL864509 0.78 MEN1 (0.85) HAT1RBBP7MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
CN-102471283-A Flavin derivatives BIORELIX INC 2012-05-23 CN disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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 (2 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HAT1 2685/4885RBBP7 3004/4885MEN1 4416/4885
US-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HAT1 2685/4885RBBP7 3004/4885MEN1 4416/4885

“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.