SCHEMBL541563

SCHEMBL541563

CCOC(=O)c1cnc(N[C@H]2C[C@@H]3CC[C@H]2C3)nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 5/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ GRM1 Q13255 1/20 0.39
▸ JAK1 P23458 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDGFRB P09619 3/20 0.37
▸ PDGFRA P16234 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36

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
SCHEMBL541564 1.00 BRS3 (0.41) BRS3EPHX2GRM1JAK1JAK3
SCHEMBL541089 1.00 BRS3 (0.41) BRS3EPHX2GRM1JAK1JAK3
SCHEMBL541088 1.00 BRS3 (0.41) BRS3EPHX2GRM1JAK1JAK3
SCHEMBL12796040 0.85 JAK2 (0.42) BRS3JAK1JAK3JAK2HRH4
SCHEMBL12796029 0.85 JAK2 (0.42) BRS3JAK1JAK3JAK2HRH4
SCHEMBL15397160 0.78 MAPK8 (0.37) BRS3JAK1JAK3JAK2HRH4
SCHEMBL541504 0.77 SYK (0.41) BRS3JAK1JAK3JAK2HRH4
SCHEMBL541417 0.77 SYK (0.41) BRS3JAK1JAK3JAK2HRH4
SCHEMBL541418 0.77 SYK (0.41) BRS3JAK1JAK3JAK2HRH4
SCHEMBL541503 0.77 SYK (0.41) BRS3JAK1JAK3JAK2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 BRS3 485/4885EPHX2 339/4885GRM1 433/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 BRS3 373/4885EPHX2 232/4885GRM1 640/4885

“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.

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