SCHEMBL541503

SCHEMBL541503

CC(C)c1nc(N[C@H]2C[C@@H]3CC[C@H]2C3)ncc1C(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.41
▸ HRH4 Q9H3N8 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CXCR1 P25024 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ BRS3 P32247 3/20 0.36
▸ LRRK2 Q5S007 3/20 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
SCHEMBL541418 1.00 SYK (0.41) SYKHRH4ALDH1A1CNR2KDM4E
SCHEMBL541504 1.00 SYK (0.41) SYKHRH4ALDH1A1CNR2KDM4E
SCHEMBL541417 1.00 SYK (0.41) SYKHRH4ALDH1A1CNR2KDM4E
SCHEMBL15397192 0.94 SYK (0.41) SYKCNR2HSP90AA1HSP90AB1LRRK2
SCHEMBL541727 0.88 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541766 0.88 HRH4 (0.42) SYKHRH4CXCR1CXCR2JAK2
SCHEMBL541767 0.88 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541726 0.88 HRH4 (0.42) SYKHRH4CXCR1CXCR2JAK2
SCHEMBL542036 0.86 HSD11B1 (0.43) SYKHRH4ALDH1A1CNR2KDM4E
SCHEMBL542035 0.86 HSD11B1 (0.43) SYKHRH4ALDH1A1CNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US claimed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US claimed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP claimed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US claimed
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 SYK 2005/4885HRH4 57/4885ALDH1A1 3897/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SYK 1240/4885HRH4 47/4885ALDH1A1 4050/4885

“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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