SCHEMBL473754

SCHEMBL473754

CN(C)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
ALDH1A1 P00352 3/20 0.52
SETD7 Q8WTS6 1/20 0.47
NAMPT P43490 1/20 0.46
HPGD P15428 4/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL473799 0.92 HPGD (0.56) CA1CA2CA9ALDH1A1NAMPT
SCHEMBL1679566 0.85 ALDH1A1 (0.45) CA1CA2CA9ALDH1A1HPGD
SCHEMBL15648726 0.85 CA1 (0.61) CA1CA2CA9ALDH1A1HPGD
SCHEMBL16183487 0.85 CA1 (0.61) CA1CA2CA9ALDH1A1NAMPT
SCHEMBL15739681 0.82 CA1 (0.49) CA1CA2CA9ALDH1A1HDAC4
SCHEMBL15551680 0.82 CA1 (0.59) CA1CA2CA9ALDH1A1NAMPT
SCHEMBL31144570 0.82 POLB (0.57) CA1CA2CA9NAMPTSMN1; SMN2
SCHEMBL14242308 0.81 CA9 (0.60) CA1CA2CA9
SCHEMBL21911540 0.81 USP30 (0.49) CA1CA2CA9ALDH1A1HPGD
SCHEMBL2848982 0.81 HTT (0.48) CA1CA2CA9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978751-B1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-05 EP disclosed
US-9932340-B2 Substituted indoles ABBVIE INC. (US) 2018-04-03 US disclosed
EP-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed
US-20170349589-A9 Substituted Indoles ABBVIE INC. (US) 2017-12-07 US disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20170174688-A1 Substituted Indoles ABBVIE INC. (US) 2017-06-22 US disclosed
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-05-26 US disclosed
EP-2766347-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
EP-2978751-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-02-03 EP disclosed
US-9079929-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 US disclosed
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2010-02-25 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
WO-2008030795-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARDS OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 WO disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 US disclosed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 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 (7 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-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC CA1 3713/4885CA2 2250/4885CA9 2706/4885
US-20100048576-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CA1 4022/4885CA2 990/4885CA9 2915/4885
US-20170174688-A1 Substituted Indoles SUV39H2, SUV39H1, IDO1 CA1 4700/4885CA2 4439/4885CA9 4419/4885
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET CA1 4022/4885CA2 990/4885CA9 2915/4885
US-20170349589-A9 Substituted Indoles SUV39H2, SUV39H1, IDO1 CA1 4700/4885CA2 4439/4885CA9 4419/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 CA1 3677/4885CA2 1960/4885CA9 4386/4885
US-20160145263-A1 TETRAHYDROISOQUINOLINES CONTAINING SUBSTITUTED AZOLES AS FACTOR XIA INHIBITORS TFPI2, TFPI, F12 CA1 1769/4885CA2 1459/4885CA9 1663/4885

“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.