SCHEMBL7243714

SCHEMBL7243714

CCCCC(=O)c1sc(Oc2ccc3c(c2)OCO3)c2c1CCc1cnn(C)c1-2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
CDK19 Q9BWU1 7/20 0.46
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
APOBEC3G Q9HC16 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL7249835 0.92 CCNC (0.49) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7249112 0.87 CCNC (0.51) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7247033 0.87 CCNC (0.51) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7241584 0.87 CCNC (0.49) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7042038 0.86 CCNC (0.61) CCNCCDK8CDK19DRD2DRD4
SCHEMBL7041952 0.86 CCNC (0.47) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7247669 0.83 CCNC (0.47) CCNCCDK8CDK19KMT2AKDM4E
SCHEMBL7245319 0.82 CCNC (0.45) CCNCCDK8CDK19KDM4EMAPT
SCHEMBL7242639 0.82 CCNC (0.45) CCNCCDK8CDK19KMT2AMEN1
SCHEMBL7241993 0.82 CCNC (0.44) CCNCCDK8CDK19KMT2AMEN1

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-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR CCNC 2012/4885CDK8 3614/4885CDK19 2184/4885

“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.