SCHEMBL2642819

SCHEMBL2642819

Cn1ccc(Sc2cnc3sc(Nc4ncnc5cccnc45)nc3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.32
GCK P35557 8/20 0.32
TRPV1 Q8NER1 1/20 0.32
HCK P08631 1/20 0.32
BTK Q06187 1/20 0.32
PIP4K2A P48426 1/20 0.30
PIP4K2C Q8TBX8 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
SCHEMBL2642798 0.85 GCK (0.42) EGFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2660906 0.83 POLB (0.38) EGFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2642172 0.80 POLB (0.41) EGFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2642645 0.71 ABCG2 (0.38) EGFRNPC1RAB9APOLB
SCHEMBL2642160 0.70 MET (0.39) EGFRRAB9ASMN1; SMN2GCK
SCHEMBL2642518 0.67 GCK (0.48) NPC1RAB9ASMN1; SMN2POLBGCK
SCHEMBL2642096 0.67 POLB (0.37) NPC1RAB9ASMN1; SMN2POLBGCK
SCHEMBL2660907 0.66 POLB (0.48) EGFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2642784 0.66 NPC1 (0.42) EGFRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL2642200 0.66 GCK (0.53) EGFRNPC1RAB9ASMN1; SMN2POLB

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 5 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-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 EGFR 3484/4885NPC1 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.