SCHEMBL2312487

SCHEMBL2312487

COC(=O)N(F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 7/20 0.45
HTT P42858 3/20 0.45
DDX3X O00571 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPK1 P28482 3/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP1 Q9C000 1/20 0.45

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
SCHEMBL28120160 0.85 MAPT (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1815772 0.82 SMN1; SMN2 (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2311749 0.82 SMN1; SMN2 (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28136856 0.81 TP53 (0.53) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL3004700 0.81 GAA (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL20560634 0.80 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL4014610 0.80 ALDH1A1 (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28025970 0.80 SMN1; SMN2 (0.44) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28158074 0.79 ALDH1A1 (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL9167642 0.78 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 US disclosed
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 EP disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 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 (3 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 MEN1 1861/4885KMT2A 1141/4885LMNA 3149/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 MEN1 1861/4885KMT2A 1141/4885LMNA 3149/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 MEN1 1861/4885KMT2A 1141/4885LMNA 3149/4885

“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.