SCHEMBL1032533

SCHEMBL1032533

COc1ccc(-c2cnc(N[C@H]3CC[C@H](C)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK6 Q16659 10/20 0.47
GRM5 P41594 1/20 0.44
PIM1 P11309 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
ADORA2A P29274 1/20 0.40
AXL P30530 1/20 0.40
TYRO3 Q06418 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1032531 1.00 MAPK6 (0.47) MAPK6GRM5PIM1DRD2DRD3
SCHEMBL1333941 0.85 GRM5 (0.41) MAPK6GRM5DRD2DRD3IRAK4
SCHEMBL1333940 0.85 GRM5 (0.41) MAPK6GRM5DRD2DRD3IRAK4
SCHEMBL1334210 0.85 GRM5 (0.41) MAPK6GRM5IRAK4
SCHEMBL1334209 0.85 GRM5 (0.41) MAPK6GRM5IRAK4
SCHEMBL1029359 0.84 HASPIN (0.45) GRM5IRAK4
SCHEMBL1029357 0.84 HASPIN (0.45) GRM5IRAK4
SCHEMBL13015072 0.84 TYRO3 (0.53) MAPK6IRAK4AXLTYRO3
SCHEMBL1334058 0.84 GALR2 (0.42) MAPK6GRM5IRAK4CNR2
SCHEMBL1333239 0.84 GABBR2 (0.49) GRM5IRAK4ADORA2A

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-8513242-B2 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CYSTIC FIBROSIS FOUNDATION 2011-11-17 US disclosed
WO-2011008931-A2 ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2011-01-20 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-20110281873-A1 Pyrimidine Compounds and Methods of Making and Using Same CFTR, GPR17, TYMS MAPK6 3590/4885GRM5 2764/4885PIM1 3726/4885

“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.