SCHEMBL4513613

SCHEMBL4513613

O=C1CC(=O)NC(COCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
TSHR P16473 2/20 0.40
AKT1 P31749 1/20 0.40
PTPN1 P18031 2/20 0.38
DPP4 P27487 1/20 0.38
CDC25B P30305 1/20 0.38
BUB1 O43683 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP3A4 P08684 3/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4513607 1.00 CDC7 (0.46) CDC7LMNABCHEACHETSHR
SCHEMBL3220126 0.80 HDAC8 (0.41) TSHRMAPT
SCHEMBL19585834 0.79 LMNA (0.48) CDC7LMNABCHEACHETSHR
SCHEMBL10589424 0.79 LMNA (0.48) CDC7LMNABCHEACHETSHR
SCHEMBL4768930 0.77 CYP3A4 (0.40) CYP3A4MAPTCREBBP
SCHEMBL19261314 0.76 BUB1 (0.49) LMNABCHEACHETSHRAKT1
SCHEMBL1564436 0.75 LMNA (0.48) CDC7LMNABCHEACHETSHR
SCHEMBL2347159 0.75 LMNA (0.48) CDC7LMNABCHEACHETSHR
SCHEMBL31698098 0.75 LMNA (0.45) CDC7LMNABCHEACHETSHR
SCHEMBL17824072 0.75 LMNA (0.48) CDC7LMNABCHEACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963319-B1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-04-11 EP disclosed
US-7618982-B2 Heteroarylpyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-17 US disclosed
US-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2007-06-21 US disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (2 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-20070142415-A1 Heteroarylpyrrolopyridinones active as kinase inhibitors MAP3K1, MAP3K19, MAP3K3 CDC7 359/4885LMNA 3609/4885BCHE 3362/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 CDC7 277/4885LMNA 3207/4885BCHE 3926/4885

“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.