SCHEMBL1673593

SCHEMBL1673593

COc1cc(F)ccc1C1=NCCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
NISCH Q9Y2I1 2/20 0.46
WDR5 P61964 1/20 0.42
UGCG Q16739 1/20 0.41
KCNH2 Q12809 3/20 0.40
GSK3B P49841 5/20 0.40
CSNK1A1 P48729 4/20 0.40
CSNK1D P48730 4/20 0.40
CSNK1G2 P78368 4/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
CDK9 P50750 2/20 0.40
CCNT1 O60563 1/20 0.40
CASP3 P42574 1/20 0.40
CDK7 P50613 1/20 0.40
CASP7 P55210 1/20 0.40
CHRNA7 P36544 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 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
SCHEMBL2489335 0.82 LMNA (0.74) LMNANISCHWDR5GSK3BCSNK1A1
SCHEMBL10374039 0.73 MAOB (0.50) LMNANISCH
SCHEMBL4025501 0.71 LMNA (0.46) LMNANISCHPARP1PARP10
SCHEMBL10373648 0.68 NISCH (0.61) LMNANISCH
SCHEMBL22039523 0.67 CHRNB4 (0.43) WDR5UGCGKCNH2
SCHEMBL12096351 0.66 AR (0.43) KCNH2CDK9CCNT1CHRNA7
SCHEMBL14062295 0.66 UGCG (0.42) UGCGKCNH2GSK3BCDK1CDK2
SCHEMBL27939192 0.66 KCNH2 (0.43) UGCGKCNH2GSK3BCDK1CDK2
SCHEMBL11425087 0.65 CYP11B1 (0.55) KCNH2GSK3BCDK2
SCHEMBL10376921 0.65 GSK3B (0.49) LMNAGSK3BCDK9CDK7

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-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT LMNA 2558/4885NISCH 3729/4885WDR5 2085/4885

“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.