SCHEMBL4842389

SCHEMBL4842389

Cc1nc(C(N)=O)c(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
PLK1 P53350 1/20 0.45
CCNA1 P78396 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNMA1 Q12791 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP7 P55210 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43

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
SCHEMBL27257810 0.89 KDM4E (0.52) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4844402 0.85 CCNA2 (0.43) CCNA2CDK2PLK1CCNA1MAPT
SCHEMBL4844037 0.84 KMT2A (0.44) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4836607 0.77 MAPT (0.44) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL5907093 0.74 KDM4E (0.49) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL27258814 0.73 GRM5 (0.39) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL26852398 0.72 LRRK2 (0.46) CDK2MAPT
SCHEMBL4837225 0.71 SLC5A1 (0.43) MAPTALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL11787404 0.70 MEN1 (0.57) MAPTALDH1A1MAPK1KCNMA1TDP1
SCHEMBL8240906 0.70 AKR1C3 (0.56) MAPTALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 CCNA2 2718/4885CDK2 2475/4885PLK1 3652/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 CCNA2 2459/4885CDK2 836/4885PLK1 2171/4885

“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.