SCHEMBL1706154

SCHEMBL1706154

O=[N+]([O-])c1ccc(Cl)c(-c2nccc3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.64
▸ CDK1 P06493 1/20 0.64
▸ CCNB1 P14635 1/20 0.64
▸ CCNA2 P20248 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ CCNA1 P78396 1/20 0.64
▸ CCNB3 Q8WWL7 1/20 0.64
▸ RORC P51449 1/20 0.46
▸ PDE4D Q08499 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ MEN1 O00255 3/20 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
SCHEMBL15668349 0.84 CCNB2 (0.46) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668123 0.84 CCNB2 (0.49) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL14707494 0.83 CRHBP (0.58) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668213 0.83 CCNB2 (0.60) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17771233 0.83 KDR (0.53) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL13552782 0.82 TP53 (0.55) RORCMAPTKMT2AMEN1ALDH1A1
SCHEMBL13044299 0.82 CCNB2 (0.47) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL13552967 0.81 KMT2A (0.46) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668596 0.79 CCNB2 (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17102963 0.78 CCNB2 (1.00) CCNB2CDK1CCNB1CCNA2CDK2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANT HOLDINGS IP, LLC (US) 2019-01-22 — — US disclosed
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANT HOLDINGS IP, LLC (US) 2019-01-22 — — US disclosed
EP-2914253-B1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANTBIOSCIENCE INC (US) 2018-01-03 — — EP disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 — — US disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 — — US disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 — — US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 — — US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 — — US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 — — US disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
WO-2014071298-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC (US) 2014-05-08 — — WO disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — US disclosed
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — US disclosed
EP-2440048-A1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING Abraxis BioScience, LLC (US) 2012-04-18 — — EP disclosed
WO-2010144586-A1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — WO disclosed
WO-2010144586-A1 ISOQUINOLINE, QUINOLINE, AND QUINAZOLINE DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 — — 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 (5 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-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway SMO, SHH, SOS1 CCNB2 1882/4885CDK1 1121/4885CCNB1 2282/4885
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO CCNB2 894/4885CDK1 627/4885CCNB1 897/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 CCNB2 1882/4885CDK1 1121/4885CCNB1 2282/4885
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO CCNB2 1869/4885CDK1 641/4885CCNB1 2913/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO CCNB2 894/4885CDK1 627/4885CCNB1 897/4885

“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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