SCHEMBL12796034

SCHEMBL12796034

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HRH4 Q9H3N8 4/20 0.42
▸ BRS3 P32247 10/20 0.39
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PDGFRB P09619 3/20 0.38
▸ PDGFRA P16234 3/20 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
SCHEMBL12795970 0.89 OPRK1 (0.45) JAK2JAK1JAK3HRH4BRS3
SCHEMBL541600 0.88 KDR (0.45) JAK2JAK1JAK3HRH4BRS3
SCHEMBL541601 0.88 KDR (0.45) JAK2JAK1JAK3HRH4BRS3
SCHEMBL12796040 0.84 JAK2 (0.42) JAK2JAK1JAK3HRH4BRS3
SCHEMBL12796029 0.84 JAK2 (0.42) JAK2JAK1JAK3HRH4BRS3
SCHEMBL542036 0.82 HSD11B1 (0.43) JAK2JAK1JAK3HRH4KDR
SCHEMBL542035 0.82 HSD11B1 (0.43) JAK2JAK1JAK3HRH4KDR
SCHEMBL541876 0.82 HRH4 (0.42) JAK2JAK1JAK3HRH4BRS3
SCHEMBL541877 0.82 HRH4 (0.42) JAK2JAK1JAK3HRH4BRS3
SCHEMBL541878 0.82 HRH4 (0.42) JAK2JAK1JAK3HRH4BRS3

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 JAK2 575/4885JAK1 1430/4885JAK3 1312/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 JAK2 265/4885JAK1 843/4885JAK3 688/4885

“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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