SCHEMBL3316255

SCHEMBL3316255

COc1ccc(Cn2cnc3c2ncc2c3n([C@@H]3CN(Cc4ccccc4)CC[C@@H]3C)c(=O)n2C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MTOR P42345 1/20 0.39
LMNA P02545 3/20 0.39
ACHE P22303 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD4 P21917 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
BACE1 P56817 1/20 0.38
DRD2 P14416 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL3313112 1.00 NPC1 (0.40) NPC1RAB9ASIGMAR1MTORLMNA
SCHEMBL4385742 0.86 OPRM1 (0.39) NPC1RAB9ASIGMAR1LMNAACHE
Hydrochloric Acid SCHEMBL3316281 0.85 OPRM1 (0.39) NPC1RAB9ASIGMAR1LMNAACHE
Hydrochloric Acid SCHEMBL3314434 0.85 OPRM1 (0.39) NPC1RAB9ASIGMAR1LMNAACHE
SCHEMBL566867 0.84 JAK2 (0.42) NPC1RAB9ASIGMAR1LMNAACHE
SCHEMBL10099179 0.76 SIGMAR1 (0.42) NPC1RAB9ASIGMAR1LMNAACHE
SCHEMBL13398079 0.76 JAK1 (0.49) MTORDRD4JAK2JAK1TYK2
SCHEMBL566703 0.75 SIGMAR1 (0.45) NPC1RAB9ASIGMAR1LMNAKDM4E
SCHEMBL10099186 0.74 LMNA (0.43) NPC1RAB9ASIGMAR1LMNAACHE
SCHEMBL10099144 0.72 JAK1 (0.44) NPC1RAB9ASIGMAR1LMNAKDM4E

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-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 NPC1 3583/4885RAB9A 3312/4885SIGMAR1 4631/4885

“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.