SCHEMBL1488694

SCHEMBL1488694

CNCCC1CNc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HRH1 P35367 4/20 0.46
KDM4E B2RXH2 2/20 0.38
SLC6A2 P23975 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
THPO P40225 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL1488692 0.83 CCKBR (0.38) HTR2BCCKBRBCHE
Dimethylamine SCHEMBL8649623 0.83 BCHE (0.39) CCKBRBCHE
SCHEMBL678381 0.83 CCKBR (0.36) CCKBR
SCHEMBL8261364 0.81 HTR5A (0.41) HTR2BCCKBRBCHE
SCHEMBL6881827 0.80 CA2 (0.41) HTR2AHRH1KDM4ECCKBR
SCHEMBL19520637 0.80 MTNR1A (0.54)
SCHEMBL24322987 0.80 MTNR1A (0.38) HTR2AHRH1KDM4E
SCHEMBL24202037 0.80 HTR2A (0.43) HTR2AHRH1KDM4ESLC6A2LMNA
SCHEMBL13908673 0.80 CCKBR (0.38) HTR2BCCKBR
SCHEMBL10151339 0.80 HTR2A (0.37) HTR2AHRH1CCKBRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use EXELIXIS INC (US) 2015-05-21 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS INC. (US) 2009-06-18 US disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 HTR2A 4685/4885HRH1 1570/4885KDM4E 1286/4885
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 HTR2A 88/4885HRH1 527/4885KDM4E 4396/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 HTR2A 4698/4885HRH1 1487/4885KDM4E 1252/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 HTR2A 4685/4885HRH1 1570/4885KDM4E 1286/4885
US-20090215776-A1 Organic compounds REN, RXFP1, MYLK HTR2A 4720/4885HRH1 392/4885KDM4E 2074/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS HTR2A 4601/4885HRH1 3279/4885KDM4E 913/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS HTR2A 4801/4885HRH1 2408/4885KDM4E 592/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 HTR2A 4698/4885HRH1 1487/4885KDM4E 1252/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 HTR2A 4698/4885HRH1 1487/4885KDM4E 1252/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 HTR2A 4698/4885HRH1 1487/4885KDM4E 1252/4885

“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.