SCHEMBL17045565

SCHEMBL17045565

COc1cc(Cl)c([N+](=O)[O-])nc1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ S1PR4 O95977 8/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL31406158 0.85 MAPT (0.59) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL17045570 0.81 HTT (0.46) MAPTHPGDS1PR4LMNAALDH1A1
SCHEMBL31728089 0.75 MAPT (0.49) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL2144114 0.75 ALDH1A1 (0.49) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL30423974 0.75 ALDH1A1 (0.49) MAPTLMNAALDH1A1KDM4ETDP1
SCHEMBL31727276 0.74 MAPT (0.45) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL15570374 0.71 MAPT (0.51) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL10779236 0.71 ALDH1A1 (0.58) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL17045577 0.70 ERN1 (0.39) MAPTHPGDNPC1RAB9AS1PR4
SCHEMBL30109137 0.70 LMNA (0.47) MAPTHPGDLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 — — EP disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 — — US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 — — US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 — — US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 — — US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 — — US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 — — US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 — — US disclosed
EP-3110818-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2017-01-04 — — EP disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — WO disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — WO disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — 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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MAPT 2399/4885HPGD 1272/4885NPC1 3924/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 MAPT 2399/4885HPGD 1272/4885NPC1 3924/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MAPT 2399/4885HPGD 1272/4885NPC1 3924/4885

“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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