SCHEMBL3498181

SCHEMBL3498181

COC(=O)c1c(N)nc(-c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
MAPK8 P45983 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRA P16234 1/20 0.47
PRKACA P17612 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL3495383 0.76 MAPK8 (0.45) ARMAPK8SMN1; SMN2CYP1A2DRD2
SCHEMBL4415107 0.74 AR (0.55) ARMAPK8SMN1; SMN2CYP1A2DRD2
SCHEMBL4895350 0.73 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TDP1LMNARAB9A
SCHEMBL28505411 0.73 DRD2 (0.66) ARSMN1; SMN2DRD2TBXA2RALDH1A1
SCHEMBL182807 0.73 MAPK8 (0.57) ARMAPK8SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL7886361 0.73 MAPK8 (0.48) ARMAPK8SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL28365579 0.73 MAPK8 (0.60) ARMAPK8MAPK9
SCHEMBL8823072 0.72 ALDH1A1 (0.51) SMN1; SMN2CYP1A2ALDH1A1LMNARECQL
SCHEMBL28369978 0.72 MAPK8 (0.67) ARMAPK8MAPK9
SCHEMBL28370285 0.72 MAPK8 (0.67) ARMAPK8MAPK9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC AR 133/4885MAPK8 1309/4885SMN1; SMN2 1291/4885

“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.