SCHEMBL541677

SCHEMBL541677

O=C(c1cnc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1C1CC1)N1CCS(O)(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.41
▸ HSD11B1 P28845 14/20 0.39
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL541675 1.00 HRH4 (0.41) HRH4HSD11B1CXCR1CXCR2JAK2
SCHEMBL541676 0.92 HSD11B1 (0.44) HRH4HSD11B1CXCR1CXCR2JAK2
SCHEMBL541389 0.87 HSD11B1 (0.47) HRH4HSD11B1
SCHEMBL541390 0.87 HSD11B1 (0.47) HRH4HSD11B1
SCHEMBL541731 0.85 KDR (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541085 0.85 KDR (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541904 0.85 KDR (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541902 0.85 KDR (0.41) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541876 0.85 HRH4 (0.42) HRH4CXCR1CXCR2JAK2JAK1
SCHEMBL541727 0.85 HRH4 (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 — — US claimed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 — — US claimed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP claimed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US claimed
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
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

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 57/4885HSD11B1 4508/4885CXCR1 437/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HRH4 47/4885HSD11B1 4464/4885CXCR1 295/4885

“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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