SCHEMBL2642096

SCHEMBL2642096

Cn1nnnc1Sc1ccc2ncnc(Nc3nc4cccnc4s3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 13/20 0.35
PIP4K2C Q8TBX8 10/20 0.35
MITF O75030 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 4/20 0.33
GCK P35557 1/20 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
SCHEMBL2642518 0.85 GCK (0.48) POLBNPC1RAB9ASMN1; SMN2PIP4K2C
SCHEMBL2660906 0.81 POLB (0.38) POLBNPC1RAB9ASMN1; SMN2GCK
SCHEMBL2642784 0.81 NPC1 (0.42) POLBNPC1RAB9ASMN1; SMN2HTT
SCHEMBL2642369 0.79 POLB (0.38) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2660907 0.79 POLB (0.48) POLBNPC1RAB9ASMN1; SMN2HTT
SCHEMBL2642149 0.79 NPC1 (0.39) POLBNPC1RAB9ASMN1; SMN2GCK
SCHEMBL2642905 0.78 NPC1 (0.38) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642575 0.76 NPC1 (0.38) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL2659631 0.76 POLB (0.37) POLBNPC1RAB9ASMN1; SMN2GCK
SCHEMBL2642168 0.74 NPC1 (0.53) POLBNPC1RAB9ASMN1; SMN2

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 POLB 3158/4885NPC1 3557/4885RAB9A 1818/4885

“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.