SCHEMBL5754501

SCHEMBL5754501

CCCOc1[c]ccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
KAT6A Q92794 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL159471 0.91 TSHR (0.36) KMT2ACA12CA1CA2CA7
SCHEMBL13722888 0.89 NR5A1 (0.36) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL13723015 0.88 NR5A1 (0.39) ALDH1A1TP53LTA4H
SCHEMBL160927 0.85 NQO1 (0.34) HTTTUBB1
SCHEMBL13723603 0.84 NCF1 (0.34) KDM4EALDH1A1
SCHEMBL13722453 0.84 SQOR (0.32) USP2
SCHEMBL13723489 0.83 HTR2A (0.35) HTR2CHTR2A
SCHEMBL12097881 0.81 ALDH1A1 (0.35) HTR2CHTR2BALDH1A1
SCHEMBL13723488 0.81 SLC6A2 (0.32) KMT2AMEN1GAAMAPT
SCHEMBL27553102 0.81

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
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP claimed
CN-103476759-B 4-aryl-N-phenyl-1,3,5-triazines-2-the amine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-16 CN claimed
CN-104470926-A Substituted pyrrolopyrimidines Bayer Pharma AG 2015-03-25 CN claimed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US claimed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP claimed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 US claimed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO claimed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP claimed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO claimed
CN-107810175-A The alternatively cyclopropyl-methylamine of the HT of property 5 (2C) receptor stimulating agent 伊利诺伊大学评议会 2018-03-16 CN disclosed
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
CN-103476759-B 4-aryl-N-phenyl-1,3,5-triazines-2-the amine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-16 CN disclosed
US-8916557-B2 Substituted 4-Aryl-N-phenyl-1,3,5-triazin-2-amines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-23 US disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
CN-101400680-B Spiroindolinone derivatives HOFFMANN LA ROCHE 2012-04-25 CN disclosed
CN-101400680-A Spiroindolinone derivatives HOFFMANN LA ROCHE (CH) 2009-04-01 CN disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 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 (1 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 HTR2C 222/4885HTR2B 791/4885HTR2A 561/4885

“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.