SCHEMBL541592

SCHEMBL541592

O=C(c1cnc(Cl)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 9/20 0.52
JUN P05412 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SCD O00767 1/20 0.48
ATF1 P18846 8/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
XPO1 O14980 3/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
LRRK2 Q5S007 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL76465 0.84 SCD (0.51) NFKB1JUNNFKB2RELASCD
SCHEMBL541568 0.83 SCD (0.48) NFKB1JUNNFKB2RELASCD
SCHEMBL3380961 0.82 CNR2 (0.63) NFKB1ATF1LRRK2
SCHEMBL10145297 0.77 CNR2 (0.49) LRRK2
SCHEMBL3377682 0.77 CNR2 (0.65) LRRK2
SCHEMBL12796494 0.77 CNR2 (0.51) TSHRLMNAHTTKDM4E
SCHEMBL3380525 0.77 CNR2 (0.56) TSHRLRRK2
SCHEMBL3378797 0.77 CNR2 (0.65)
SCHEMBL29510127 0.77 CNR2 (0.65) LRRK2
SCHEMBL29509939 0.77 CNR2 (0.65) LRRK2

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 12 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
CN-102378757-A Pyrimidine compounds ASTELLAS PHARMA INC 2012-03-14 CN disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP 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 NFKB1 2708/4885JUN 242/4885NFKB2 2655/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 NFKB1 2619/4885JUN 324/4885NFKB2 2274/4885

“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.