SCHEMBL77035

SCHEMBL77035

Nc1ccc(N2CCCC(CO)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALOX15 P16050 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAP4K4 O95819 1/20 0.48
CDK8 P49336 1/20 0.44

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
SCHEMBL6256182 0.94 ALDH1A1 (0.54) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL13735219 0.90 MAPT (0.43) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL15651591 0.90 MAPT (0.43) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL15652597 0.90 MAPT (0.43) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL19221764 0.88 MAPT (0.46) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL15649907 0.88 MAPT (0.46) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL25855629 0.85 ESR1 (0.45) POLBHTTKMT2AMAP4K4CDK8
SCHEMBL21135466 0.84 CYP3A4 (0.56) KDM4EALDH1A1MAPTNPC1TP53
SCHEMBL21135496 0.84 NOTUM (0.49) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL7790528 0.84 EPHX2 (0.51) RAB9AMAP4K4SYKJAK2KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-12-02 US disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 CN disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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 (10 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 KDM4E 1816/4885ALDH1A1 1162/4885MAPT 2259/4885
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 KDM4E 4520/4885ALDH1A1 153/4885MAPT 4859/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885ALDH1A1 4333/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1409/4885ALDH1A1 3674/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885ALDH1A1 4333/4885MAPT 470/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN KDM4E 1259/4885ALDH1A1 3377/4885MAPT 3391/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB KDM4E 4167/4885ALDH1A1 237/4885MAPT 4709/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 KDM4E 3592/4885ALDH1A1 96/4885MAPT 4763/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885ALDH1A1 4184/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885ALDH1A1 4184/4885MAPT 438/4885

“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.