SCHEMBL2646674

SCHEMBL2646674

OCCc1ccccc1Sc1ccc2ncnc(Nc3nc4cccnc4s3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.39
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 5/20 0.34
AURKB Q96GD4 2/20 0.33
LCK P06239 1/20 0.33
ITK Q08881 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CD38 P28907 1/20 0.32
RAF1 P04049 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
RORC P51449 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL2642043 0.93 GCK (0.40) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642649 0.84 GCK (0.42) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2660952 0.83 PKM (0.40) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642250 0.82 HTT (0.43) GCKNPC1EGFRAURKBMEN1
SCHEMBL2642210 0.82 GCK (0.46) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642489 0.81 GCK (0.43) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2659886 0.81 GCK (0.40) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642164 0.78 GCK (0.42) GCKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2642040 0.77 KMT2A (0.39) POLBNPC1SMN1; SMN2EGFRAURKB
SCHEMBL2642648 0.77 GCK (0.42) GCKPOLBNPC1RAB9ASMN1; 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 2 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

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 1/4885POLB 3158/4885NPC1 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.