SCHEMBL2642575

SCHEMBL2642575

c1cnc2sc(Nc3ncnc4ccc(Sc5cnn[nH]5)nc34)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
PDK1 Q15118 1/20 0.32
EGFR P00533 1/20 0.31
BUB1 O43683 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL2642677 0.82 GCK (0.42) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642784 0.82 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642905 0.81 NPC1 (0.38) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642149 0.80 NPC1 (0.39) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642369 0.79 POLB (0.38) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2660907 0.78 POLB (0.48) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642518 0.78 GCK (0.48) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2660906 0.77 POLB (0.38) NPC1RAB9ASMN1; SMN2POLBPDK1
SCHEMBL2642096 0.76 POLB (0.37) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2659631 0.75 POLB (0.37) NPC1RAB9ASMN1; SMN2POLBBUB1

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
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
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
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
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 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
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 NPC1 3557/4885RAB9A 1818/4885SMN1; SMN2 4213/4885

“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.