SCHEMBL3701892

SCHEMBL3701892

CC(=O)c1nc2ccccc2nc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PABPC1 P11940 2/20 0.45
KDM4E B2RXH2 5/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
RXFP1 Q9HBX9 3/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL14099196 0.87 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MAPK1CASP1
SCHEMBL634399 0.83 ALDH1A1 (0.72) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6992814 0.83 TDP1 (0.56) TDP1MAPTALDH1A1SMN1; SMN2PABPC1
Hydrochloric Acid SCHEMBL10562751 0.82 ALDH1A1 (0.69) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3574871 0.82 TDP1 (0.54) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4111048 0.81 KDM4E (0.50) TDP1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL27985020 0.81 TDP1 (0.48) TDP1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL17616107 0.81 KMT2A (0.47) TDP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL4833903 0.79 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MAPK1CASP1
SCHEMBL47270 0.79 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 US disclosed
EP-2763994-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K Gilead Calistoga LLC (US) 2014-08-13 EP disclosed
WO-2013052699-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC (US) 2013-04-11 WO disclosed
WO-2013052699-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC (US) 2013-04-11 WO disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 TDP1 4738/4885MAPT 2662/4885ALDH1A1 35/4885
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K PIK3R5, PIK3CA, PIK3CD TDP1 1610/4885MAPT 3207/4885ALDH1A1 3540/4885

“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.