SCHEMBL2642034

SCHEMBL2642034

O=CNc1cccnc1Oc1ccc2ncnc(Nc3nc4cccnc4s3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.43
PDE10A Q9Y233 4/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 2/20 0.36
ROCK2 O75116 1/20 0.36
ERBB2 P04626 1/20 0.35

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
SCHEMBL2643901 0.84 GCK (0.48) GCKPDE10ANPC1MAPTRAB9A
SCHEMBL2642410 0.84 GCK (0.59) GCKPDE10ANPC1MAPTRAB9A
SCHEMBL2642481 0.84 GCK (0.44) GCKPDE10ANPC1MEN1ALDH1A1
SCHEMBL2642605 0.82 GCK (0.55) GCK
SCHEMBL2661250 0.82 ROCK2 (0.51) GCKPDE10ARAB9AROCK2
SCHEMBL2641962 0.82 KDR (0.51) GCKNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2642476 0.81 GCK (0.56) GCKPDE10ANPC1MAPTRAB9A
SCHEMBL2642860 0.78 NPC1 (0.50) GCKNPC1MEN1ALDH1A1GAA
SCHEMBL2642290 0.78 GCK (0.65) GCKNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL2642274 0.76 GCK (0.41) GCKNPC1MAPTRAB9ASMN1; 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 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 GCK 1/4885PDE10A 1938/4885NPC1 3557/4885

“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.