SCHEMBL4101721

SCHEMBL4101721

NC(=O)c1nc2ccccc2nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
IKBKB O14920 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MAP2K3 P46734 2/20 0.50
LCK P06239 1/20 0.50
MAP2K6 P52564 1/20 0.50
BTK Q06187 1/20 0.50
MAP3K19 Q56UN5 1/20 0.50
NEK10 Q6ZWH5 1/20 0.50
PDPK1 O15530 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALOX15 P16050 1/20 0.41
ADORA2A P29274 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
SCHEMBL1759326 0.83 ALDH1A1 (0.72) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL12630186 0.82 MAPT (0.54) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL11387603 0.81 KMT2A (0.43) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL28296154 0.79 ALDH1A1 (0.79) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL43146 0.79 MAPT (0.54) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL3574871 0.78 TDP1 (0.54) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL12663994 0.77 MAPT (0.48) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL2482578 0.77 PDPK1 (0.61) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL12629768 0.76 MAPT (0.52) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL8000212 0.75 MAPT (0.50) ALDH1A1MAPTHPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-8415353-B2 Amino-quinoxaline and amino-quinoline compounds for use as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
EP-1288238-A1 Compositions of matter having bioactive properties Schmitz, Robert A. (US) 2003-03-05 EP disclosed
US-6299892-B1 INCORPORATING INTO DELIVERY VEHICLES SUITABLE FOR EFFECTING DESIRED ANTIMICROBIAL USE, SOAPS AND DETERGENTS SCHMITZ ROBERT A (US) 2001-10-09 US disclosed
US-4255273-A COMPRISING A WATER-SOLUBLE PHOTOACTIVATOR AND A CATIONIC SUBSTANCE THE PROCTER & GAMBLE COMPANY (US) 1981-03-10 US disclosed
US-4254123-A FOR TREATMENT OF ASTHMA; ANTIALLERGENS ROUSSEL UCLAF (FR) 1981-03-03 US disclosed
US-4128646-A ANTIALLERGEN MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1978-12-05 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 (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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885MAPT 38/4885HPGD 4076/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885MAPT 38/4885HPGD 4076/4885
US-20110105513-A1 AMINO-QUINOXALINE AND AMINO-QUINOLINE COMPOUNDS FOR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ALDH1A1 855/4885MAPT 3548/4885HPGD 897/4885

“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.