SCHEMBL1769950

SCHEMBL1769950

CC1(C)OB(c2ccc3cc(F)ccc3c2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.61
LIPG Q9Y5X9 13/20 0.61
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ROCK1 Q13464 1/20 0.38
SNCA P37840 1/20 0.37

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
SCHEMBL1293460 0.89 LPL (0.62) LPLLIPGCA1CA2CA9
SCHEMBL29644319 0.89 LPL (0.62) LPLLIPGCA1CA2CA9
SCHEMBL26549481 0.87 LIPG (0.73) LPLLIPGIDO1TDO2CA1
SCHEMBL2708689 0.85 LPL (0.59) LPLLIPGCA1CA2CA9
SCHEMBL4299809 0.85 LPL (0.59) LPLLIPGCA1CA2CA9
SCHEMBL29387132 0.83 LPL (0.61) LPLLIPGCA1CA2CA9
SCHEMBL1294059 0.83 LPL (0.61) LPLLIPGCA1CA2CA9
SCHEMBL26549551 0.82 LIPG (0.71) LPLLIPGIDO1TDO2CA1
SCHEMBL120527 0.81 LPL (0.75) LPLLIPGCA1CA2CA9
SCHEMBL29392121 0.81 LPL (0.75) LPLLIPGCA1CA2CA9

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-20210193938-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-24 US disclosed
EP-3536692-B1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
EP-3536692-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-09-11 EP disclosed
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9796725-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 US disclosed
EP-3173413-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2017-05-31 EP disclosed
US-9663525-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20130217682-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
WO-2013123169-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 WO disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 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 (6 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-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme UBA1, UBXN1, UBE2E1 LPL 3748/4885LIPG 4100/4885IDO1 719/4885
US-20130217682-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 LPL 3748/4885LIPG 4100/4885IDO1 719/4885
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 LPL 1925/4885LIPG 2772/4885IDO1 799/4885
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 LPL 3748/4885LIPG 4100/4885IDO1 719/4885
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME USP1, UBA1, UBXN1 LPL 3766/4885LIPG 4082/4885IDO1 728/4885
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 LPL 3748/4885LIPG 4100/4885IDO1 719/4885

“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.