SCHEMBL783960

SCHEMBL783960

CC(C)(O)C(C)(C)OB(O)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR4A2 P43354 2/20 0.42
SOS2 Q07890 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
IDE P14735 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL16009379 0.85 GAK (0.37)
SCHEMBL16010409 0.81 NCF1 (0.37) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL29957635 0.79 NR4A2 (0.56) LMNASMN1; SMN2NR4A2SOS2KMT2A
SCHEMBL16010143 0.77 GAK (0.37)
SCHEMBL1164876 0.74 PRKCI (0.40)
SCHEMBL831221 0.74 POLB (0.34) LMNASMN1; SMN2KMT2AMEN1HPGD
SCHEMBL17392999 0.72 CYP3A4 (0.37) LMNASMN1; SMN2NR4A2KMT2AMEN1
SCHEMBL17675525 0.71 ALDH1A1 (0.37) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL16936442 0.70 BCL6 (0.33) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL16012071 0.70 RECQL (0.34)

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 35 patents — showing the first 20. 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
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 EP disclosed
EP-2049491-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-22 EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 US disclosed
WO-2008019124-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 LMNA 2893/4885SMN1; SMN2 753/4885NR4A2 2877/4885
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme UBA1, UBXN1, UBE2E1 LMNA 4657/4885SMN1; SMN2 2954/4885NR4A2 2555/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD LMNA 3078/4885SMN1; SMN2 2134/4885NR4A2 38/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 LMNA 2893/4885SMN1; SMN2 753/4885NR4A2 2877/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 LMNA 2893/4885SMN1; SMN2 753/4885NR4A2 2877/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD LMNA 3229/4885SMN1; SMN2 2248/4885NR4A2 37/4885
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME USP1, UBA1, UBXN1 LMNA 4668/4885SMN1; SMN2 2993/4885NR4A2 2545/4885
US-20170217968-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME UBA1, UBXN1, UBE2E1 LMNA 4657/4885SMN1; SMN2 2954/4885NR4A2 2555/4885

“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.