SCHEMBL1250100

SCHEMBL1250100

O=[N+]([O-])c1cc(Br)cc2[nH]nc(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ IDO1 P14902 5/20 0.35
▸ TDO2 P48775 5/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL2215478 0.88 TDO2 (0.46) IDO1TDO2NOS1PIM1PIM3
SCHEMBL31437655 0.81 MAPT (0.38) AKR1B1ERN1IDO1TDO2MAPT
SCHEMBL470187 0.81 ALDH1A1 (0.34) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL30856168 0.78 CYP1A2 (0.47) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL30811696 0.75 CYP3A4 (0.40) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL9941730 0.74 NOS1 (0.49) TDO2MAPTMEN1ALDH1A1KMT2A
SCHEMBL18152653 0.73 RIPK1 (0.40) IDO1TDO2MAPTMEN1ALDH1A1
SCHEMBL22655651 0.72 MAPT (0.39) TDO2MAPTMEN1ALDH1A1KMT2A
SCHEMBL1252468 0.71 IDO1 (0.44) IDO1TDO2MEN1ALDH1A1KMT2A
SCHEMBL1250107 0.68 NOS1 (0.57) IDO1TDO2MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 — — EP disclosed
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 — — EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 — — EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 — — EP disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 — — US disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 — — US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 — — US disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 — — US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 — — US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 — — WO disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — US disclosed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 — — EP disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 — — EP disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 — — 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA AKR1B1 2120/4885ERN1 691/4885IDO1 1256/4885
US-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 AKR1B1 3357/4885ERN1 1151/4885IDO1 2776/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD AKR1B1 2102/4885ERN1 458/4885IDO1 2196/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 AKR1B1 3357/4885ERN1 1151/4885IDO1 2776/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 AKR1B1 3357/4885ERN1 1151/4885IDO1 2776/4885

“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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