SCHEMBL15397191

SCHEMBL15397191

CC(C)c1nc(N[C@@H]2CC[C@H]3CC[C@@H]2C3)ncc1C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.36
▸ HRH4 Q9H3N8 4/20 0.36
▸ SPR P35270 1/20 0.36
▸ HSD11B1 P28845 5/20 0.34
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CXCR1 P25024 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL541766 0.94 HRH4 (0.42) SYKHRH4SPRHSD11B1CXCR1
SCHEMBL541726 0.94 HRH4 (0.42) SYKHRH4SPRHSD11B1CXCR1
SCHEMBL15397192 0.88 SYK (0.41) SYKSPRHSD11B1CNR2
SCHEMBL541767 0.87 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541727 0.87 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541417 0.82 SYK (0.41) SYKHRH4CNR2CXCR1CXCR2
SCHEMBL541503 0.82 SYK (0.41) SYKHRH4CNR2CXCR1CXCR2
SCHEMBL541418 0.82 SYK (0.41) SYKHRH4CNR2CXCR1CXCR2
SCHEMBL541504 0.82 SYK (0.41) SYKHRH4CNR2CXCR1CXCR2
SCHEMBL15397160 0.82 MAPK8 (0.37) SYKHRH4HSD11B1MAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — 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 (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-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SYK 1240/4885HRH4 47/4885SPR 3002/4885

“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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