SCHEMBL4774497

SCHEMBL4774497

CCNc1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 9/20 0.40
JUN P05412 6/20 0.40
NFKB2 Q00653 6/20 0.40
RELA Q04206 6/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
PGK1 P00558 1/20 0.37
LRRK2 Q5S007 1/20 0.37
XPO1 O14980 4/20 0.36
ATF1 P18846 4/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 2/20 0.35

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
SCHEMBL4765257 0.87 STK17B (0.47) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4772853 0.85 TRPA1 (0.41) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4768083 0.85 STK17B (0.40) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4773876 0.85 NFKB1 (0.40) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4772216 0.85 STK17B (0.40) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4765932 0.85 STK17B (0.43) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4768852 0.84 ALDH1A1 (0.46) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4768060 0.84 LRRK2 (0.46) NFKB1JUNNFKB2RELASTK17B
SCHEMBL4769049 0.84 L3MBTL1 (0.48) NFKB1STK17BSTK17AATF1ALDH1A1
SCHEMBL4770559 0.83 JAK2 (0.43) SYK

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-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 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 (1 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 NFKB1 2034/4885JUN 2823/4885NFKB2 2504/4885

“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.