SCHEMBL4291301

SCHEMBL4291301

CCCc1cn2nc(SCc3ccccc3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.50
PKM P14618 3/20 0.46
POLB P06746 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 5/20 0.40
TP53 P04637 3/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL4295974 0.84 CDK2 (0.47) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4291136 0.83 CDK2 (0.59) CDK2PKMPOLBCDK1CCNB1
SCHEMBL11339038 0.78 TP53 (0.61) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9521768 0.78 PKM (0.55) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4296060 0.76 CDK2 (0.48) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9776580 0.75 PKM (0.49) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9523990 0.75 POLB (0.49) CDK2PKMPOLBCDK1CCNB1
SCHEMBL10373443 0.73 NPC1 (0.57) CDK2PKMPOLBCDK1CCNB1
SCHEMBL9776545 0.73 PKM (0.52) CDK2PKMPOLBCDK1CCNB1
SCHEMBL4291306 0.72 CDK2 (0.56) 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 4 patents. 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-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.