SCHEMBL2642798

SCHEMBL2642798

c1ccc(Sc2cnc3sc(Nc4ncnc5cccnc45)nc3c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.42
EGFR P00533 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2642819 0.85 EGFR (0.36) GCKEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL2642172 0.83 POLB (0.41) GCKEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL2642784 0.81 NPC1 (0.42) GCKEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL2642645 0.79 ABCG2 (0.38) EGFRNPC1RAB9APOLB
SCHEMBL2642489 0.79 GCK (0.43) GCKEGFRNPC1RAB9ASMN1; SMN2
SCHEMBL2642160 0.76 MET (0.39) GCKEGFRRAB9ASMN1; SMN2
SCHEMBL13439398 0.75 GCK (0.68) GCK
Hydrochloric Acid SCHEMBL2338435 0.74 GCK (0.67) GCKNPC1RAB9ASMN1; SMN2
SCHEMBL2642040 0.71 KMT2A (0.39) EGFRNPC1SMN1; SMN2POLB
SCHEMBL2642648 0.71 GCK (0.42) GCKEGFRNPC1RAB9ASMN1; 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 1/4885EGFR 3484/4885NPC1 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.