SCHEMBL12795970

SCHEMBL12795970

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.45
▸ PDGFRB P09619 3/20 0.42
▸ PDGFRA P16234 3/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ HRH4 Q9H3N8 4/20 0.40
▸ BRS3 P32247 6/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL541571 0.90 MAPT (0.48) OPRK1PDGFRBPDGFRAJAK2JAK1
SCHEMBL541572 0.90 MAPT (0.48) OPRK1PDGFRBPDGFRAJAK2JAK1
SCHEMBL12796034 0.89 JAK2 (0.42) PDGFRBPDGFRAJAK2JAK1JAK3
SCHEMBL12795955 0.83 OPRK1 (0.45) OPRK1PDGFRBPDGFRAJAK2JAK1
SCHEMBL12795978 0.81 OPRK1 (0.44) OPRK1PDGFRBPDGFRAJAK2JAK1
SCHEMBL542035 0.81 HSD11B1 (0.43) JAK2JAK1JAK3HRH4ALDH1A1
SCHEMBL542036 0.81 HSD11B1 (0.43) JAK2JAK1JAK3HRH4ALDH1A1
SCHEMBL541876 0.80 HRH4 (0.42) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL541877 0.80 HRH4 (0.42) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL541878 0.80 HRH4 (0.42) OPRK1JAK2JAK1JAK3HRH4

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 5 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-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-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 OPRK1 33/4885PDGFRB 243/4885PDGFRA 140/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 OPRK1 31/4885PDGFRB 192/4885PDGFRA 116/4885

“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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