SCHEMBL3606355

SCHEMBL3606355

CN1c2cccc([NH])c2NC(=O)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
PDK4 Q16654 3/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NSD2 O96028 1/20 0.33
APP P05067 1/20 0.33
HPGD P15428 1/20 0.33
SNCA P37840 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
AKR1B1 P15121 2/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 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
SCHEMBL3606359 0.80 PDK2 (0.36) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL3599451 0.73 PDK2 (0.44) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL3595402 0.70 BRD4 (0.37) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL3588406 0.70 CRBN (0.42) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL3599299 0.67 BRD4 (0.46) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL3591081 0.67 ATAD2 (0.36) PDK2PDK4ALDH1A1GAAMAPT
SCHEMBL3593391 0.64 RXFP1 (0.36) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL3596725 0.64 KDM4E (0.35) PDK2PDK4PDK1PDK3ALDH1A1
SCHEMBL162703 0.62 ATAD2 (0.33) PDK2PDK4AKR1B1
SCHEMBL6579528 0.62 ATAD2 (0.33) PDK2PDK4AKR1B1

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-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 PDK2 3637/4885PDK4 3828/4885PDK1 3955/4885

“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.