SCHEMBL3863544

SCHEMBL3863544

CC(C)c1nc(Cl)nc(NCCCNC(=O)OCc2ccccc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TGM2 P21980 1/20 0.43
FOLH1 Q04609 4/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KAT2B Q92831 1/20 0.41
CTSK P43235 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL3880478 0.78 MAPT (0.39) BRD4SMN1; SMN2MAPTL3MBTL1
SCHEMBL3863540 0.76 SIRT5 (0.53) BRD4HTTLMNASMN1; SMN2TGM2
SCHEMBL1284434 0.76 SIRT5 (0.50) BRD4HTTLMNASMN1; SMN2TGM2
SCHEMBL16057286 0.73 HTT (0.50) BRD4HTTLMNASMN1; SMN2TGM2
Ammonia Solution, Strong SCHEMBL8060380 0.73 HTT (0.65) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL5149463 0.73 TGM2 (0.50) BRD4HTTLMNASMN1; SMN2TGM2
SCHEMBL2840246 0.72 HTT (0.56) BRD4HTTLMNASMN1; SMN2TGM2
SCHEMBL10032568 0.72 HTT (0.67) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL1284433 0.72 STK17B (0.46) BRD4HTTLMNASMN1; SMN2TGM2
SCHEMBL1284430 0.72 STK17B (0.46) BRD4HTTLMNASMN1; SMN2TGM2

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-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK BRD4 1974/4885HTT 4149/4885LMNA 3544/4885

“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.