SCHEMBL541611

SCHEMBL541611

CCc1nc(N(C)N2C(=O)C=C(C)C2=O)ncc1COC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JUN P05412 11/20 0.64
NFKB1 P19838 11/20 0.64
NFKB2 Q00653 11/20 0.64
RELA Q04206 11/20 0.64
FOS P01100 7/20 0.45
XPO1 O14980 1/20 0.35
CYP1A2 P05177 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8399259 0.62 LMNA (0.41) ALDH1A1LMNA
SCHEMBL24943815 0.61 LMNA (0.40) LMNA
SCHEMBL28113423 0.58 JUN (0.37) JUNNFKB1NFKB2RELAFOS
SCHEMBL19146111 0.57 HPGD (0.53) CYP1A2CASP1CASP7ALDH1A1HSD17B10
SCHEMBL25652309 0.56 LMNA (0.44) ALDH1A1HSD17B10LMNA
SCHEMBL27916636 0.56 JUN (0.36) JUNNFKB1NFKB2RELAFOS
SCHEMBL15994288 0.55 LMNA (0.33) XPO1LMNA
SCHEMBL23020769 0.55 LMNA (0.41) ALDH1A1LMNA
SCHEMBL7422516 0.54 POLB (0.33) CYP1A2HSD17B10LMNA
SCHEMBL27935360 0.54 PTGS1 (0.36) JUNNFKB1NFKB2RELAFOS

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.