SCHEMBL10177918

SCHEMBL10177918

CO/N=C(\C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.38
CTBP2 P56545 1/20 0.38
HTT P42858 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
SCHEMBL19433075 1.00 MAPT (0.49) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL18840218 1.00 MAPT (0.49) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2043782 0.83 MAPT (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2043783 0.83 MAPT (0.43) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL9899496 0.82 KDM4E (0.45) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL9899495 0.82 KDM4E (0.45) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL19559921 0.82 MAPT (0.39) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL18840185 0.81 ALDH1A1 (0.43) MAPTKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL12082147 0.80 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2366519 0.80 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
EP-3808743-A1 HIV REPLICATION INHIBITING PYRIMIDINES Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
EP-2298761-B1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-03-25 EP disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-9192577-B2 Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid JANSSEN PHARMACEUTICA NV (BE) 2015-11-24 US disclosed
US-8828982-B2 Pyrimidine derivatives for the prevention of HIV infection JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-09 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 MAPT 4242/4885KDM4E 2092/4885ALDH1A1 3445/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD MAPT 3887/4885KDM4E 2891/4885ALDH1A1 188/4885
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 MAPT 2594/4885KDM4E 2360/4885ALDH1A1 2424/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT MAPT 989/4885KDM4E 798/4885ALDH1A1 2133/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 MAPT 2583/4885KDM4E 2245/4885ALDH1A1 2403/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 MAPT 4688/4885KDM4E 3601/4885ALDH1A1 1723/4885

“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.