SCHEMBL875451

SCHEMBL875451

CN(C)CCNC(=O)c1cccc(B(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C3 P42330 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.47
MAP4K4 O95819 1/20 0.47
TP53 P04637 1/20 0.47
CAMK2D Q13557 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL2454819 0.92 HPGD (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL15330249 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL1233804 0.84 L3MBTL1 (0.65) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL30222110 0.82 PKM (0.61) ALDH1A1PKMMAPK1MEN1KMT2A
SCHEMBL15985305 0.82 KMT2A (0.50) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4661410 0.82 PKM (0.61) ALDH1A1PKMMAPK1MEN1KMT2A
SCHEMBL5083356 0.82 HPGD (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAP4K4
SCHEMBL398196 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1KMT2ALMNASMN1; SMN2
SCHEMBL955684 0.81 HPGD (0.56) ALDH1A1SMN1; SMN2TP53L3MBTL1
SCHEMBL177577 0.81 SMN1; SMN2 (0.74) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20200181154-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-06-11 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2019-06-27 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-01 US disclosed
EP-3201186-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS FOR USE IN THE TREAMENT OF DISORDERS MEDIATED BY BRUTON'S TYROSINE KINASE (BTK) F. Hoffmann-La Roche AG (CH) 2017-08-09 EP disclosed
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 US disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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 (9 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-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 ALDH1A1 3327/4885PKM 422/4885MAPK1 287/4885
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 ALDH1A1 821/4885PKM 1248/4885MAPK1 2437/4885
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK ALDH1A1 414/4885PKM 156/4885MAPK1 1247/4885
US-20200181154-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 ALDH1A1 3327/4885PKM 422/4885MAPK1 287/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ALDH1A1 464/4885PKM 1625/4885MAPK1 2142/4885
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 ALDH1A1 3327/4885PKM 422/4885MAPK1 287/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH ALDH1A1 956/4885PKM 2736/4885MAPK1 2916/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R ALDH1A1 3830/4885PKM 3486/4885MAPK1 3998/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 ALDH1A1 1358/4885PKM 3750/4885MAPK1 4453/4885

“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.