SCHEMBL4581864

SCHEMBL4581864

Cc1cccc(-c2ccc(N)nc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
ADORA1 P30542 3/20 0.49
ADORA2A P29274 2/20 0.46
LRRK2 Q5S007 2/20 0.45
CHEK1 O14757 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL4581861 0.83 NOS3 (0.41) RAB9AADORA1MAP4K4NPC1KMT2A
SCHEMBL4504821 0.83 MTOR (0.57) RAB9AADORA1ADORA2AMAP4K4NPC1
SCHEMBL4583341 0.81 RAB9A (0.46) RAB9AADORA1ADORA2ALRRK2CHEK1
SCHEMBL11008096 0.81 NOS3 (0.50) RAB9ANPC1KMT2ANOS3NOS1
SCHEMBL15927714 0.80 RAB9A (0.46) RAB9AADORA1ADORA2ALRRK2CHEK1
SCHEMBL15928351 0.79 CA1 (0.51) LRRK2
SCHEMBL15928353 0.79 FYN (0.45) ADORA1ADORA2ALRRK2FYNCDK8
SCHEMBL16606644 0.79 CNR2 (0.45) RAB9AADORA1ADORA2ALRRK2CHEK1
SCHEMBL20104888 0.78 MTOR (0.39) RAB9AADORA1MAP4K4NPC1KMT2A
SCHEMBL15928352 0.78 PARP1 (0.47) RAB9ALRRK2FYNCDK8CDK7

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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB RAB9A 1443/4885ADORA1 1637/4885ADORA2A 1573/4885

“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.