SCHEMBL541389

SCHEMBL541389

O=C(c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1C1CC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 16/20 0.47
▸ SYK P43405 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39

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
SCHEMBL541390 1.00 HSD11B1 (0.47) HSD11B1SYKEPHX2ALDH1A1HRH4
SCHEMBL541676 0.87 HSD11B1 (0.44) HSD11B1SYKHRH4
SCHEMBL541677 0.87 HRH4 (0.41) HSD11B1HRH4
SCHEMBL541675 0.87 HRH4 (0.41) HSD11B1HRH4
SCHEMBL6525303 0.84 KDR (0.42) SYKALDH1A1HRH4
SCHEMBL541417 0.84 SYK (0.41) SYKALDH1A1HRH4
SCHEMBL541504 0.84 SYK (0.41) SYKALDH1A1HRH4
SCHEMBL6525301 0.84 KDR (0.42) SYKALDH1A1HRH4
SCHEMBL541610 0.84 KDR (0.42) SYKALDH1A1HRH4
SCHEMBL542036 0.84 HSD11B1 (0.43) HSD11B1SYKALDH1A1HRH4

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 10 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
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 — — WO 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 HSD11B1 4508/4885SYK 2005/4885EPHX2 339/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HSD11B1 4464/4885SYK 1240/4885EPHX2 232/4885

“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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