SCHEMBL17304076

SCHEMBL17304076

Cc1cc([N+](=O)[O-])c(OC2CC2)cc1C1=CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ BCL6 P41182 3/20 0.35
▸ BCOR Q6W2J9 3/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.33
▸ MAPT P10636 4/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ CYP19A1 P11511 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL26041555 0.85 PDE3B (0.35) PDE3BPDE3AMAPK14TBK1
SCHEMBL17304302 0.80 TBK1 (0.37) BCL6BCORTBK1MAPTHTT
SCHEMBL30640873 0.80 TBK1 (0.37) BCL6BCORTBK1MAPTHTT
SCHEMBL30640822 0.80 HTR6 (0.43) BCL6BCORTBK1MAPTALDH1A1
SCHEMBL17304089 0.80 SLC6A4 (0.32) BCL6BCORCYP19A1MAOA
SCHEMBL17304107 0.80 HTR6 (0.43) BCL6BCORTBK1MAPTALDH1A1
SCHEMBL17304105 0.80 SLC6A4 (0.45) LMNAALOX15
SCHEMBL30640855 0.80 SLC6A4 (0.45) LMNAALOX15
SCHEMBL17304090 0.79 MAOA (0.33) MAPTALDH1A1CYP19A1MEN1PTGES
SCHEMBL18698393 0.77 HTR6 (0.34) BCL6BCORTBK1ALDH1A1CYP19A1

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 10 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
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
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 PDE3B 1446/4885PDE3A 1597/4885BCL6 729/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 PDE3B 1446/4885PDE3A 1597/4885BCL6 729/4885

“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.

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