SCHEMBL864378

SCHEMBL864378

CC(NC(=O)OC(C)(C)C)c1cc2cccc(Cl)c2nc1NCc1cccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MITF O75030 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL864377 1.00 TP53 (0.35) TP53SMN1; SMN2ATMMAPTMAPK1
SCHEMBL15184805 0.80 PIK3CD (0.36) MAPK1LMNAKDM4EALDH1A1
SCHEMBL15184806 0.80 PIK3CD (0.36) MAPK1LMNAKDM4EALDH1A1
SCHEMBL21445289 0.77 TP53 (0.42) TP53SMN1; SMN2ATMMAPTMAPK1
SCHEMBL16630523 0.75 PIK3CD (0.40) TP53SMN1; SMN2ATMMAPTHPGD
SCHEMBL864528 0.73 PIK3CD (0.45) LMNAHTT
SCHEMBL1694884 0.69 MAPT (0.39) TP53SMN1; SMN2ATMMAPTMAPK1
SCHEMBL10147646 0.69 MAPT (0.39) TP53SMN1; SMN2ATMMAPTMAPK1
SCHEMBL863903 0.69 TSHR (0.43) TP53SMN1; SMN2ATMMAPTMAPK1
SCHEMBL713467 0.69 TSHR (0.43) TP53SMN1; SMN2ATMMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA TP53 773/4885SMN1; SMN2 2993/4885ATM 357/4885

“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.