SCHEMBL3574871

SCHEMBL3574871

NC(=O)c1nc2ccccc2nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
IKBKB O14920 3/20 0.45
MAP2K3 P46734 2/20 0.44
LCK P06239 1/20 0.44
MAP2K6 P52564 1/20 0.44
BTK Q06187 1/20 0.44
MAP3K19 Q56UN5 1/20 0.44
NEK10 Q6ZWH5 1/20 0.44
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
ADORA2A P29274 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL6992814 0.82 TDP1 (0.56) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL634399 0.82 ALDH1A1 (0.72) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3701892 0.82 TDP1 (0.56) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10562751 0.80 ALDH1A1 (0.69) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL28296154 0.78 ALDH1A1 (0.79) TDP1MAPTALDH1A1SMN1; SMN2IKBKB
SCHEMBL4101721 0.78 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2IKBKBMAP2K3
SCHEMBL43146 0.78 MAPT (0.54) TDP1MAPTALDH1A1SMN1; SMN2IKBKB
SCHEMBL3712426 0.77 ALDH1A1 (0.53) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL11206926 0.76 TDP1 (0.75) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
Bicarbonate SCHEMBL10870596 0.76 TDP1 (0.75) TDP1MAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397444-A Compositions and methods for allograft transplantation 美真达治疗公司 2022-11-25 CN disclosed
CN-112154152-A anti-CD 252 antibodies, conjugates, and methods of use 美真达治疗公司 2020-12-29 CN disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8895559-B2 Quinoxalines derivatives and pharmaceutical compositions and kits MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20130217670-A1 QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 US disclosed
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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 (3 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-20130217670-A1 QUINOXALINE DERIVATIVES PIK3R5, NQO2, PIK3R1 TDP1 458/4885MAPT 4120/4885ALDH1A1 2771/4885
US-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 TDP1 1561/4885MAPT 3821/4885ALDH1A1 577/4885
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP4K2, MAP3K5 TDP1 857/4885MAPT 1694/4885ALDH1A1 4364/4885

“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.