SCHEMBL4868960

SCHEMBL4868960

CC1CCn2c(nc(-c3ccncc3)c(F)c2=O)N1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.36
MAPK11 Q15759 7/20 0.36
KDM1A O60341 1/20 0.36
ALOX5 P09917 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
RPS6KA3 P51812 1/20 0.35
KDM5A P29375 1/20 0.34
CSNK1E P49674 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDC7 O00311 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 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
SCHEMBL4865548 0.75 GSK3B (0.46) CDC7
SCHEMBL4763499 0.72 KDM5A (0.34) MAPK14MAPK11KDM5ACSNK1ECDC7
SCHEMBL4868548 0.67 PIK3CA (0.41) KDM1A
SCHEMBL4868559 0.67 PIK3CA (0.41) KDM1A
SCHEMBL4865750 0.67 PIK3R1 (0.39)
SCHEMBL3569426 0.65 GSK3B (0.50)
SCHEMBL4865666 0.64 KDM4E (0.49) CDC7TGFBR1ROCK2ROCK1
SCHEMBL7005022 0.62 PARP10 (0.34) MAPK14MAPK11CSNK1A1CSNK1DRPS6KA3
SCHEMBL4826999 0.62 ALDH1A1 (0.49) RPS6KA3KDM5ACDC7TGFBR1ROCK2
SCHEMBL3962773 0.60 GSK3B (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462621-B2 Use of substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2008-12-09 US disclosed
US-7214682-B2 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives SANOFI (FR) 2005-03-03 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 (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-20050049261-A1 Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives CDK5, PSEN1, GSK3A MAPK14 1109/4885MAPK11 1794/4885KDM1A 1915/4885

“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.