SCHEMBL455592

SCHEMBL455592

Cc1[c]c(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.42
CHEK1 O14757 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.40
BTK Q06187 1/20 0.39
AKT1 P31749 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
HPGD P15428 1/20 0.35
TTK P33981 1/20 0.35
MAPK10 P53779 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL2766578 0.83 MEN1 (0.40) KMT2ANR1H2NR1H3ALDH1A1POLB
SCHEMBL6004982 0.80 AXL (0.40) KMT2AALOX15KDM4EALDH1A1RAB9A
SCHEMBL455865 0.80 SMN1; SMN2 (0.46) AKT2L3MBTL1KMT2AAKT1NR1H2
SCHEMBL456840 0.80 IKBKB (0.43) NR1H2NR1H3KDM4EPOLBALPL
SCHEMBL2766385 0.77 BTK (0.41) AKT2CHEK1L3MBTL1KMT2ABTK
SCHEMBL458788 0.75 BTK (0.36) AKT2CHEK1L3MBTL1KMT2ABTK
SCHEMBL3632831 0.73 BTK (0.46) L3MBTL1BTKALOX15KDM4EALDH1A1
SCHEMBL4637112 0.73 KMT2A (0.46) KMT2ANR1H2NR1H3ALOX15KDM4E
SCHEMBL577704 0.71 L3MBTL1 (0.45) AKT2L3MBTL1KMT2ABTKALOX15
SCHEMBL1821061 0.71 NR1H2 (0.42) NR1H2NR1H3KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP claimed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO claimed
EP-2001848-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LTD. (GB) 2008-12-17 EP claimed
WO-2007110667-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LIMITED (GB) 2007-10-04 WO claimed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
EP-1266911-B1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
EP-2120584-A1 SILYLATED PIPERIDINE DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
EP-1414825-B9 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2009-09-16 EP disclosed
EP-2001848-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LTD. (GB) 2008-12-17 EP disclosed
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease ASTRAZENECA AB (SE) 2004-12-16 US disclosed
US-20040171623-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-09-02 US disclosed
EP-1414825-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
EP-1412362-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-04-28 EP disclosed
WO-2003011868-A1 THIENOPYRIMIDINEDIONES AND THEIR USE IN THE MODULATION OF AUTOIMMUNE DISEASE ASTRAZENECA AB (SE) 2003-02-13 WO disclosed
US-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-13 US disclosed
WO-2003008422-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
EP-1266911-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-18 EP 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 (3 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-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer BRAP, MCM4, BOLA2; BOLA2B AKT2 3109/4885CHEK1 1098/4885L3MBTL1 3636/4885
US-20040171623-A1 Chemical compounds CBR1, SETDB1, CBR3 AKT2 3588/4885CHEK1 4323/4885L3MBTL1 3281/4885
US-20040254198-A1 Thienopyrimidinediones and their use in the modulation of autoimmune disease TPMT, CBR1, CYP2D6 AKT2 3371/4885CHEK1 2073/4885L3MBTL1 3824/4885

“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.