SCHEMBL15397192

SCHEMBL15397192

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ LRRK2 Q5S007 9/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ SPR P35270 2/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ EML4 Q9HC35 1/20 0.35
▸ ALK Q9UM73 1/20 0.35

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
SCHEMBL541504 0.94 SYK (0.41) SYKCNR2HSP90AA1HSP90AB1LRRK2
SCHEMBL541418 0.94 SYK (0.41) SYKCNR2HSP90AA1HSP90AB1LRRK2
SCHEMBL541503 0.94 SYK (0.41) SYKCNR2HSP90AA1HSP90AB1LRRK2
SCHEMBL541417 0.94 SYK (0.41) SYKCNR2HSP90AA1HSP90AB1LRRK2
SCHEMBL15397191 0.88 SYK (0.36) SYKCNR2HSD11B1SPR
SCHEMBL15397160 0.82 MAPK8 (0.37) SYKHSD11B1
SCHEMBL541726 0.82 HRH4 (0.42) SYKHSD11B1SPR
SCHEMBL541727 0.82 HRH4 (0.42) —
SCHEMBL541766 0.82 HRH4 (0.42) SYKHSD11B1SPR
SCHEMBL541767 0.82 HRH4 (0.42) —

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 1240/4885CNR2 1/4885HSP90AA1 4558/4885

“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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