SCHEMBL2643099

SCHEMBL2643099

Nc1nc(-c2nc3cccnc3s2)nc2ccc(Sc3cnccn3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
ADORA1 P30542 5/20 0.38
PDK1 Q15118 1/20 0.33
KDM4E B2RXH2 8/20 0.33
MAPT P10636 7/20 0.33
KMT2A Q03164 4/20 0.33
PPARG P37231 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GLA P06280 3/20 0.33
RUNX1 Q01196 3/20 0.33
CBFB Q13951 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL2642893 0.81 KDM4E (0.36) ADORA2AADORA1PDK1KDM4EMAPT
SCHEMBL2642047 0.78 LMNA (0.39) ADORA2AADORA1PDK1KDM4EMAPT
SCHEMBL2642648 0.72 GCK (0.42) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL11736511 0.65 ALOX5AP (0.38) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL20538690 0.64 NPC1 (0.64) PDK1KDM4EMAPTKMT2APPARG
SCHEMBL23458472 0.64 KDM4E (0.59) PDK1KDM4EMAPTKMT2ALMNA
SCHEMBL13053004 0.63 PDK1 (0.55) PDK1KDM4EMAPTKMT2ALMNA
SCHEMBL24795860 0.62 NPC1 (0.56) PDK1KDM4EMAPTKMT2ALMNA
SCHEMBL20380348 0.60 CYP3A4 (0.48) KDM4EMAPTMAPK1TSHR
SCHEMBL13998684 0.60 KDM4E (0.61) PDK1KDM4EMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US claimed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US claimed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP claimed

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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK ADORA2A 661/4885ADORA1 880/4885PDK1 42/4885

“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.