SCHEMBL377117

SCHEMBL377117

Cc1cc(C=CC#N)cc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ENPP2 Q13822 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ AKR1C3 P42330 2/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTGS1 P23219 5/20 0.32
▸ PTGS2 P35354 5/20 0.32

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
SCHEMBL377116 1.00 KDM4E (0.41) KDM4ECYP3A4ALDH1A1TDP1TP53
Hydrochloric Acid SCHEMBL12492574 0.98 KDM4E (0.40) KDM4ECYP3A4ALDH1A1TDP1TP53
Hydrochloric Acid SCHEMBL12492576 0.98 KDM4E (0.40) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL15688389 0.89 KDM4E (0.37) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL15688390 0.89 KDM4E (0.37) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL15688344 0.87 KDM4E (0.36) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL15688328 0.87 KDM4E (0.36) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL12559551 0.86 KDM4E (0.38) KDM4ECYP3A4ALDH1A1TDP1TP53
SCHEMBL12311011 0.84 FDPS (0.50) KDM4EFDPSCYP1A2PTGS1PTGS2
SCHEMBL13681560 0.83 KDM4E (0.44) KDM4ECYP3A4ALDH1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756670-A Synthesis method of rilpivirine intermediate 苏州莱克施德药业有限公司 2024-03-26 — — CN claimed
CN-111333543-B Synthesis method of rilpivirine intermediate 武汉工程大学 2022-09-16 — — CN claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 — — US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 — — US claimed
EP-2702044-B1 PROCESS FOR RILPIVIRINE HETERO RESEARCH FOUNDATION (IN) 2017-03-22 — — EP claimed
EP-2643294-B1 AN IMPROVED RILPIVIRINE PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2016-08-24 — — EP claimed
US-8618291-B2 Process for preparing 4-[(1,6-dihydro-6-OXO-2-pyrimidinyl)amino]benzonitrile TIBOTEC PHARMACEUTICALS LTD. (IE) 2013-12-31 — — US claimed
WO-2013179105-A1 IMPROVED PROCESS FOR PREPARATION OF RILPIVIRINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2013-12-05 — — WO claimed
CN-117756670-A Synthesis method of rilpivirine intermediate 苏州莱克施德药业有限公司 2024-03-26 — — CN disclosed
CN-117756670-A Synthesis method of rilpivirine intermediate 苏州莱克施德药业有限公司 2024-03-26 — — CN disclosed
EP-3870568-B1 PROCESS FOR THE PREPARATION OF RILPIVIRINE MINAKEM (FR) 2023-06-28 — — EP disclosed
CN-111333543-B Synthesis method of rilpivirine intermediate 武汉工程大学 2022-09-16 — — CN disclosed
CN-111333543-B Synthesis method of rilpivirine intermediate 武汉工程大学 2022-09-16 — — CN disclosed
US-20210380540-A1 PROCESS FOR THE PREPARATION OF RILPIVIRINE MINAKEM (FR) 2021-12-09 — — US disclosed
WO-2006035068-A2 HIV INHIBITING 5-CARBO- OR HETEROCYCLIC SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 — — WO disclosed
WO-2006035067-A2 HIV INHIBITING 5-HETEROCYCLYL PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-04-06 — — WO disclosed
WO-2006015985-A1 HIV INHIBITING 1,2,4-TRIAZIN-6-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-16 — — WO disclosed
CN-1681774-A Process for the preparation of 4- [ [ 4- [ [ 4- (2-cyanoethenyl) -2, 6-dimethylphenyl ] amino ] -2-pyrimidinyl ] amino ] benzonitrile JANSSEN PHARMACEUTICA NV (BE) 2005-10-12 — — CN disclosed
EP-1529032-A1 PROCESSES FOR THE PREPARATION OF 4- 4- 4-(2 -CYANOETHENYL)-2,6-DIMETHYLPHENYL )AMINO) -2-PYRIMIDINYL)AMINO BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-11 — — EP disclosed
WO-2004016581-A1 PROCESSES FOR THE PREPARATION OF 4-[[4-[[4-(2-CYANOETHENYL)-2,6-DIMETHYLPHENYL]AMINO]-2-PYRIMIDINYL]AMINO]BENZONITRILE JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 — — 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 (3 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-20210380540-A1 PROCESS FOR THE PREPARATION OF RILPIVIRINE CYP3A5, SAMHD1, IL5 KDM4E 719/4885CYP3A4 22/4885ALDH1A1 1214/4885
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT KDM4E 1931/4885CYP3A4 249/4885ALDH1A1 931/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT KDM4E 1931/4885CYP3A4 249/4885ALDH1A1 931/4885

“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.

Send feedback