SCHEMBL1021348

SCHEMBL1021348

COCNC(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACKR3 P25106 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1022692 0.84 MEN1 (0.52) KMT2AMEN1TSHRPOLBMAPT
SCHEMBL1019315 0.83 ACKR3 (0.51) KMT2AALDH1A1MEN1TSHRHSD17B10
SCHEMBL1072550 0.83 LMNA (0.48) KMT2AALDH1A1MEN1TSHRPOLB
SCHEMBL1074874 0.82 MAPT (0.44) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL1073552 0.81 KMT2A (0.57) KMT2AALDH1A1MEN1TSHRHSD17B10
SCHEMBL1074551 0.81 ACKR3 (0.49) POLBMAPTTP53RXFP1ACKR3
SCHEMBL1072551 0.79 THRB (0.46) POLBMAPTTP53RXFP1ACKR3
SCHEMBL1549323 0.76 MAPT (0.52) POLBMAPTTP53RXFP1KDM4E
SCHEMBL1070726 0.74 ACKR3 (0.46) KMT2AALDH1A1MEN1TSHRHSD17B10
SCHEMBL1073496 0.73 KMT2A (0.45) KMT2AALDH1A1MEN1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B KMT2A 1633/4885ALDH1A1 1763/4885MEN1 1755/4885

“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.