SCHEMBL968176

SCHEMBL968176

Brc1cccc(C2=CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
ACMSD Q8TDX5 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
GALR1 P47211 1/20 0.38
PSMB5 P28074 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
CYP1A2 P05177 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
SCHEMBL971143 0.94 CHRNB4 (0.49) CHRNB4CHRNA3ACMSDALDH1A1HPGD
SCHEMBL15823144 0.93 CHRNB4 (0.47) CHRNB4CHRNA3ACMSDALDH1A1HPGD
SCHEMBL3971131 0.86 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1HPGDGALR1
SCHEMBL1055485 0.82 CHRNB4 (0.43) CHRNB4CHRNA3ALDH1A1HPGDSMN1; SMN2
SCHEMBL3583190 0.77 HTR2C (0.50) ACMSDALDH1A1HPGDPSMB5
SCHEMBL6182740 0.77 ACMSD (0.42) ACMSDHTR1ASERPINE1
SCHEMBL18905493 0.77 ACMSD (0.42) ACMSDHTR1ASERPINE1
SCHEMBL20567911 0.77 CHRNB4 (0.46) CHRNB4CHRNA3ACMSDHPGDGALR1
SCHEMBL5269419 0.77 ACMSD (0.50) CHRNB4CHRNA3ACMSDALDH1A1LMNA
SCHEMBL14533693 0.77 HTR2C (0.57) CHRNB4CHRNA3ACMSDGALR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 US disclosed
US-9290500-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
EP-2814791-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2014-12-24 EP disclosed
US-20140088096-A9 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
WO-2013123169-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 WO disclosed
US-20130217682-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (8 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 CHRNB4 4634/4885CHRNA3 4217/4885ACMSD 4274/4885
US-20130217682-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 CHRNB4 4634/4885CHRNA3 4217/4885ACMSD 4274/4885
US-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP CHRNB4 870/4885CHRNA3 1696/4885ACMSD 4884/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP CHRNB4 870/4885CHRNA3 1696/4885ACMSD 4884/4885
US-20160244455-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 CHRNB4 4634/4885CHRNA3 4217/4885ACMSD 4274/4885
US-20140088096-A9 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 CHRNB4 4634/4885CHRNA3 4217/4885ACMSD 4274/4885
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME USP1, UBA1, UBXN1 CHRNB4 4639/4885CHRNA3 4271/4885ACMSD 4338/4885
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 CHRNB4 4634/4885CHRNA3 4217/4885ACMSD 4274/4885

“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.