SCHEMBL2638232

SCHEMBL2638232

CCc1nccn1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
ALPG P10696 2/20 0.41
PLAA Q9Y263 1/20 0.41
BRD4 O60885 1/20 0.41
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.39
TLR8 Q9NR97 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2C P18825 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
SCHEMBL23203814 0.85 KCNH2 (0.40) KCNH2ALPGPLAAALPLTLR8
SCHEMBL8958681 0.85 ALPG (0.42) KCNH2ALPGPLAAALPLGAA
SCHEMBL10147185 0.85 KCNH2 (0.45) KCNH2BRD4GAATLR8ALDH1A1
SCHEMBL24023977 0.85 HTR2A (0.41) KCNH2ALPGPLAAALPLTLR8
SCHEMBL15969910 0.84 BRD4 (0.41) KCNH2BRD4GAATLR8ALDH1A1
Water SCHEMBL9893341 0.82 BRD4 (0.40) KCNH2BRD4GAATLR8ALDH1A1
SCHEMBL5656262 0.82 KCNH2 (0.41) KCNH2BRD4GAAALDH1A1POLB
SCHEMBL27670108 0.82 BRD4 (0.40) KCNH2BRD4GAAPOLBKMT2A
SCHEMBL15740501 0.82 KCNH2 (0.47) KCNH2BRD4GAATLR8ALDH1A1
Hydrochloric Acid SCHEMBL5657547 0.81 BRD4 (0.39) KCNH2BRD4GAATLR8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
JP-4794561-B2 2011-10-19 JP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
US-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS SERVIER PHARMACEUTICALS LLC 2021-11-18 US disclosed
US-11045448-B2 Piperidines as covalent menin inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-29 US disclosed
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-22 US disclosed
WO-2021067215-A1 PIPERIDINE COMPOUNDS AS MENIN INHIBITORS AGIOS PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed
WO-2020072391-A1 SMALL MOLECULE MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-09 WO disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
CN-1897948-A Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2007-01-17 CN disclosed
EP-0718288-B1 Liquid hydrophobic salts, their preparation and their use in electrochemistry HYDRO QUEBEC (CA) 2005-06-29 EP disclosed
CN-1061038-C Hydrophobic liquid salts, preparation thereof and their application in electrochemistry ASULAB SA (CH) 2001-01-24 CN disclosed
US-5683832-A PHOTOVOLTAIC CELLS ASULAB S.A. (CH) 1997-11-04 US disclosed
CN-1132746-A Hydrophobic liquid salts, preparation thereof and their application in electrochemistry ASULAB SA (CH) 1996-10-09 CN disclosed
EP-0718288-A1 Liquid hydrophobic salts, their preparation and their use in electrochemistry ASULAB S.A. (CH) 1996-06-26 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 (5 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-20210353610-A1 SMALL MOLECULE MENIN INHIBITORS MEN1, BRCA1, KRAS KCNH2 3041/4885ALPG 2385/4885PLAA 3739/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD KCNH2 2031/4885ALPG 4644/4885PLAA 2568/4885
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS MEN1, BRCA1, PRMT1 KCNH2 1984/4885ALPG 3936/4885PLAA 2144/4885
US-11045448-B2 Piperidines as covalent menin inhibitors MEN1, H1-10, HDAC10 KCNH2 1232/4885ALPG 4004/4885PLAA 2517/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 KCNH2 1547/4885ALPG 4874/4885PLAA 4837/4885

“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.