SCHEMBL13545348

SCHEMBL13545348

CNc1cccc2c1CNC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
DHPS P49366 1/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
EGFR P00533 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10061685 0.80 PDK1 (0.32) PDK1PDK2PDK3PDK4BRD4
SCHEMBL14425325 0.77 HTR5A (0.44) PDE3BPDE3APOLBBRD4CREBBP
SCHEMBL3642171 0.75 PDE3B (0.37) PDK2PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL13382915 0.75 NPC1 (0.46) PDK1PDK2PDK3PDK4DHPS
SCHEMBL14418906 0.74 PARP1 (0.42) PDE3BPDE3AMAPTTDP1L3MBTL1
SCHEMBL5471342 0.74 HTR5A (0.44) PDE3BPDE3AMAPK1CYP11B1CYP11B2
SCHEMBL4115777 0.74 CDK5 (0.53) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL3598881 0.74 PARP1 (0.42) PDE3BPDE3ABRD4TDP1CYP11B1
SCHEMBL8872738 0.74 PDE7A (0.46) PDE3BPDE3AMAPTCYP11B1CYP11B2
SCHEMBL13383385 0.73 BRD4 (0.53) PDK1PDK2PDK3PDK4DHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PDK1 3955/4885PDK2 3637/4885PDK3 2846/4885

“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.