SCHEMBL3544712

SCHEMBL3544712

COCCN(C)Cc1nc(C)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
BRAF P15056 1/20 0.33
MAP4K4 O95819 1/20 0.33
NOS1 P29475 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CNR1 P21554 4/20 0.32
KCNH2 Q12809 3/20 0.32
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2077382 0.77 NPC1 (0.52) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6840526 0.75 CNR2 (0.44) RAB9ANPC1ALDH1A1KDM4ENOS1
SCHEMBL18674691 0.73 ALDH1A1 (0.35) RAB9ANPC1ALDH1A1KDM4ENOS1
SCHEMBL6840375 0.71
SCHEMBL4781489 0.70 RAB9A (0.43) RAB9ANPC1ALDH1A1MAP4K4NOS1
SCHEMBL12088941 0.69 NOS1 (0.36) RAB9ANPC1ALDH1A1KDM4ENOS1
SCHEMBL18678194 0.69 CRHR1 (0.42) RAB9AALDH1A1KDM4ENOS1SMN1; SMN2
Cysteamine SCHEMBL11058069 0.67 CNR2 (0.38) RAB9ANPC1ALDH1A1KDM4ENOS1
SCHEMBL6840743 0.67 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1KDM4ENOS1
SCHEMBL15095827 0.67 SMN1; SMN2 (0.37) RAB9ANPC1ALDH1A1KDM4ENOS1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 RAB9A 4401/4885NPC1 4245/4885PIK3CD 874/4885

“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.