SCHEMBL541766

SCHEMBL541766

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.42
▸ CXCR1 P25024 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ SPR P35270 1/20 0.36
▸ BRS3 P32247 4/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ HSD11B1 P28845 3/20 0.34
▸ KDR P35968 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33

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
SCHEMBL541726 1.00 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL15397191 0.94 SYK (0.36) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541727 0.93 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541767 0.93 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541503 0.88 SYK (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541504 0.88 SYK (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541417 0.88 SYK (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541418 0.88 SYK (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541877 0.87 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541676 0.85 HSD11B1 (0.44) HRH4CXCR1CXCR2JAK2JAK1

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 9 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-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 HRH4 57/4885CXCR1 437/4885CXCR2 120/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HRH4 47/4885CXCR1 295/4885CXCR2 97/4885

“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.

Send feedback