SCHEMBL4295977

SCHEMBL4295977

CCOCc1cnc2sc(SCc3ccccc3)nn12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.53
PKM P14618 6/20 0.52
POLB P06746 2/20 0.52
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 5/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GFER P55789 1/20 0.40
FFAR1 O14842 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.36
NR2E3 Q9Y5X4 1/20 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
SCHEMBL4291306 0.84 CDK2 (0.56) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4291141 0.79 CDK2 (0.65) CDK2PKMPOLBCDK1CCNB1
SCHEMBL11339041 0.76 CDK2 (0.58) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9521763 0.76 PKM (0.70) CDK2PKMPOLBCDK1CCNB1
SCHEMBL10373441 0.76 PKM (0.59) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9523984 0.75 PKM (0.62) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4295974 0.74 CDK2 (0.47) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4296063 0.73 CDK2 (0.54) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9776573 0.73 PKM (0.62) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9776497 0.71 PKM (0.60) CDK2PKMPOLBCDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R CDK2 1200/4885PKM 2524/4885POLB 4858/4885

“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.