SCHEMBL2642047

SCHEMBL2642047

Nc1nc(-c2nc3cccnc3s2)nc2ccc(Sc3ccccc3CO)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
ADORA2A P29274 6/20 0.33
ADORA1 P30542 5/20 0.33
ADORA3 P0DMS8 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PDK1 Q15118 1/20 0.32
HSP90B1 P14625 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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 0.79 KDM4E (0.36) LMNAMAPTKDM4EPKMMAPK1
SCHEMBL2643099 0.78 ADORA2A (0.38) LMNAMAPTKDM4EPKMMAPK1
SCHEMBL2642043 0.73 GCK (0.40) LMNAMAPK1KMT2ANPSR1POLB
SCHEMBL5658428 0.62 APOBEC3G (0.52) LMNAMAPTKDM4EPKMMAPK1
SCHEMBL14529160 0.61 ADORA2A (0.51) LMNAMAPTKDM4EPKMMAPK1
SCHEMBL14266706 0.61 APP (0.58) LMNAMAPTKDM4EPKMMAPK1
SCHEMBL24795860 0.60 NPC1 (0.56) LMNAMAPTKDM4EKMT2ATP53
SCHEMBL8536641 0.60 CYP2C9 (0.66) LMNAMAPK1KMT2APOLB
SCHEMBL8531787 0.60 CYP2C9 (0.49) LMNA
SCHEMBL9472324 0.60 APOBEC3G (0.61) LMNA

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 disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK LMNA 4577/4885MAPT 4375/4885KDM4E 1277/4885

“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.