SCHEMBL4393863

SCHEMBL4393863

COc1cc(Nc2nccs2)nc(SC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 4/20 0.37
ADORA2A P29274 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
BRD4 O60885 1/20 0.35
HPGDS O60760 1/20 0.35
MAPK1 P28482 1/20 0.34
SRC P12931 1/20 0.34
BTK Q06187 1/20 0.34
PLA2G7 Q13093 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4397422 0.81 KMT2A (0.51) MAPTPOLBPKMMEN1KMT2A
SCHEMBL4396930 0.81 EGFR (0.41) RAB9ANPC1MAPTPKMMEN1
SCHEMBL13950337 0.75 ALDH1A1 (0.47) RAB9ANPC1MAPTPKMMEN1
SCHEMBL27697787 0.71 TAAR1 (0.58) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL5353299 0.70 LMNA (0.45) ADORA2AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4397535 0.69 ALDH1A1 (0.42) RAB9ANPC1MAPTPKMMEN1
SCHEMBL13927363 0.68 ALDH1A1 (0.43) RAB9ANPC1MAPTPKMMEN1
SCHEMBL5888996 0.66 POLB (0.43) RAB9ANPC1MAPTPOLBADORA2A
SCHEMBL13950510 0.64 CA1 (0.42) RAB9ANPC1MAPTPKMMEN1
SCHEMBL341998 0.64 SMN1; SMN2 (0.40) RAB9ANPC1MAPTPOLBADORA2A

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-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2009-12-10 US disclosed
EP-1931662-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY AstraZeneca AB (SE) 2008-06-18 EP disclosed
WO-2007031745-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY ASTRAZENECA AB (SE) 2007-03-22 WO 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-20090306116-A1 PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY IGF1R, IGFBP1, IRS1 RAB9A 3739/4885NPC1 4641/4885MAPT 3968/4885

“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.