SCHEMBL17304129

SCHEMBL17304129

O=[N+]([O-])c1cn(C2CC2)nc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 7/20 0.32
MAPT P10636 6/20 0.32
POLB P06746 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ELANE P08246 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL30137998 0.83 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL27980034 0.81 LRRK2 (0.34) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL25018637 0.81 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL27765464 0.81 L3MBTL1 (0.32) MEN1KMT2AALDH1A1MAPTELANE
SCHEMBL27229257 0.79 ALDH1A1 (0.32) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL18049673 0.77 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL25019061 0.77 SMN1; SMN2 (0.38) ALDH1A1MAPTPOLBL3MBTL1HTT
SCHEMBL20652286 0.75 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL31052716 0.75 AADAT (0.35) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL30267448 0.73 KMT2A (0.40) MEN1KMT2AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
EP-3150592-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF Beijing Pearl Biotechnology Limited Liability Company (CN) 2017-04-05 EP disclosed
CN-105294654-A ALK kinase inhibitor as well as preparation method and application thereof BEIJING PEARL BIOTECHNOLOGY LTD LIABILITY COMPANY 2016-02-03 CN disclosed
WO-2015180685-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF 北京浦润奥生物科技有限责任公司 2015-12-03 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 MEN1 1644/4885KMT2A 668/4885ALDH1A1 679/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 MEN1 1644/4885KMT2A 668/4885ALDH1A1 679/4885

“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.