SCHEMBL10177412

SCHEMBL10177412

C/C=C/CN(C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PYCR1 P32322 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 1/20 0.47
AOC3 Q16853 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL28102585 1.00 ALDH1A1 (0.50) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL7324033 0.83 ALDH1A1 (0.54) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL23252527 0.82 CARM1 (0.48) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL21872344 0.82 ALDH1A1 (0.49) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL5073289 0.82 TSHR (0.46) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL5073288 0.82 TSHR (0.46) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL15901626 0.81 TAAR1 (0.53) AOC3SIGMAR1
SCHEMBL9779266 0.81 NR1I2 (0.60) TSHRLMNASIGMAR1
SCHEMBL10147261 0.79 CARM1 (0.46) ALDH1A1TSHRCARM1PRMT6PRMT8
SCHEMBL5497633 0.78 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines JANSSEN PHARMACEUTICA NV (NL) 2014-11-20 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 (7 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-20140343006-A1 HIV Replication Inhibiting Pyrimidines RRM2B, CCNO, RRM2 ALDH1A1 3445/4885TSHR 2901/4885CARM1 1451/4885
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885TSHR 2901/4885CARM1 1451/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD ALDH1A1 188/4885TSHR 4564/4885CARM1 3636/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT ALDH1A1 2133/4885TSHR 4807/4885CARM1 2463/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 ALDH1A1 1723/4885TSHR 2946/4885CARM1 1502/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 ALDH1A1 3445/4885TSHR 2901/4885CARM1 1451/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 ALDH1A1 3445/4885TSHR 2901/4885CARM1 1451/4885

“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.