SCHEMBL9613271

SCHEMBL9613271

Cc1ccc(-c2cnc(N)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
MAP4K4 O95819 3/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIK3CB P42338 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LRRK2 Q5S007 5/20 0.45
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
CLK1 P49759 2/20 0.44
ACHE P22303 1/20 0.42

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
SCHEMBL1256178 0.80 MAPT (0.70) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL10000245 0.80 NPSR1 (0.48) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL10000246 0.80 NPSR1 (0.48) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL12864338 0.79 NOS3 (0.67) MAP4K4ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL4859450 0.79 MAP4K4 (0.56) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL19756307 0.79 RAB9A (0.80) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL15614090 0.78 MAP4K4 (0.59) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL2608309 0.78 NPC1 (0.60) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL12193535 0.76 MAPT (0.52) LMNAMAPTMAP4K4ALDH1A1SMN1; SMN2
SCHEMBL12441005 0.76 NPSR1 (0.46) LMNAMAPTALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US disclosed
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (6 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 LMNA 2665/4885MAPT 2332/4885MAP4K4 2720/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 LMNA 4516/4885MAPT 3731/4885MAP4K4 39/4885
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 LMNA 4354/4885MAPT 3308/4885MAP4K4 560/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LMNA 4536/4885MAPT 3519/4885MAP4K4 46/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 LMNA 3257/4885MAPT 3421/4885MAP4K4 181/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LMNA 4536/4885MAPT 3519/4885MAP4K4 46/4885

“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.