SCHEMBL15091095

SCHEMBL15091095

C=C(C)c1nc([N+](=O)[O-])ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
S1PR4 O95977 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL187255 0.83 TDP1 (0.44) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL187572 0.83 ALDH1A1 (0.48) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL8558796 0.75 KMT2A (0.47) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL4158236 0.75 MEN1 (0.47) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL2031745 0.73 MEN1 (0.46) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL6073621 0.73 MEN1 (0.43) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL15099897 0.73 KDM4E (0.37) KMT2AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23272988 0.72 KMT2A (0.49) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL29823182 0.72 KMT2A (0.49) MEN1KMT2ATDP1KDM4EL3MBTL1
SCHEMBL8094722 0.71 MCHR1 (0.43) MEN1KMT2ATDP1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112928-B2 Inhibitors of SYK HOFFMANN-LA ROCHE INC. (US) 2018-10-30 US disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
US-20150284367-A1 INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-10-08 US disclosed
US-20150284367-A1 INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-10-08 US disclosed
EP-2909174-A1 INHIBITORS OF SYK F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
EP-2802567-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
WO-2014060371-A1 INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 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 (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-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 MEN1 4080/4885KMT2A 916/4885TDP1 476/4885
US-20150284367-A1 INHIBITORS OF SYK SYK, BTK, LYN MEN1 3657/4885KMT2A 898/4885TDP1 560/4885
US-10112928-B2 Inhibitors of SYK SYK, BTK, LYN MEN1 3657/4885KMT2A 898/4885TDP1 560/4885

“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.