SCHEMBL3593720

SCHEMBL3593720

CC1(C)Cc2c([NH])cccc2NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
POLB P06746 2/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPK1 P28482 2/20 0.31
DRD2 P14416 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRA2B P18089 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL31256555 0.81 CDK5 (0.39) PDK2PDK4POLBLMNAALDH1A1
SCHEMBL25344545 0.81 CDK5 (0.39) PDK2PDK4POLBLMNAALDH1A1
SCHEMBL3593722 0.81 PDK2 (0.38) PDK2PDK4POLBLMNAALDH1A1
SCHEMBL3593391 0.74 RXFP1 (0.36) PDK2PDK4LMNAALDH1A1BRD4
SCHEMBL30100699 0.72 PDK2 (0.48) PDK2PDK4POLBALDH1A1BRD4
SCHEMBL6220027 0.72 PDK2 (0.48) PDK2PDK4POLBALDH1A1BRD4
SCHEMBL5242583 0.69 PDK2 (0.44) PDK2PDK4POLBLMNAALDH1A1
SCHEMBL3599299 0.69 BRD4 (0.46) PDK2PDK4LMNAALDH1A1BRD4
SCHEMBL3593984 0.68 NPC1 (0.52) PDK2HTR1AOPRK1
SCHEMBL3598100 0.68 BRD4 (0.56) BRD4CREBBPKMT2A

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
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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 PDK2 3637/4885PDK4 3828/4885POLB 1341/4885

“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.