SCHEMBL541944

SCHEMBL541944

COCc1cnc(NN2C(=O)C=C(C)C2=O)nc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 12/20 0.63
NFKB1 P19838 12/20 0.63
NFKB2 Q00653 12/20 0.63
RELA Q04206 12/20 0.63
XPO1 O14980 8/20 0.48
FOS P01100 4/20 0.45

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
SCHEMBL2576791 0.78 JUN (1.00) JUNNFKB1NFKB2RELAFOS
SCHEMBL5928385 0.68 JUN (0.57) JUNNFKB1NFKB2RELAXPO1
SCHEMBL541611 0.58 JUN (0.64) JUNNFKB1NFKB2RELAXPO1
SCHEMBL23094631 0.57 NFKB1 (0.42) JUNNFKB1NFKB2RELA
SCHEMBL16647331 0.56 LMNA (0.42)
SCHEMBL21240967 0.55 LMNA (0.38)
SCHEMBL15994288 0.55 LMNA (0.33) XPO1
SCHEMBL15871697 0.55 KDM4E (0.55)
SCHEMBL29639807 0.54 NFKB1 (0.42) JUNNFKB1NFKB2RELAXPO1
SCHEMBL15730150 0.54 GAA (0.44)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JUN 242/4885NFKB1 2708/4885NFKB2 2655/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 JUN 324/4885NFKB1 2619/4885NFKB2 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.