SCHEMBL377116

SCHEMBL377116

Cc1cc(/C=C/C#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
SCHEMBL377117 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 439 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505599-A Photocurable ink capable of resisting new electrolytic etching process 广昌立骅科技股份有限公司 2025-02-25 — — CN 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 claimed
CN-117164784-A Modified organosilicon microsphere and preparation method and application thereof 江苏涌新材料科技有限公司 2023-12-05 — — CN claimed
EP-4087969-A1 CARPET TILE, AND CARPET COVERING MADE OF SUCH CARPET TILES I4F LICENSING NV (BE) 2022-11-16 — — EP claimed
CN-114773985-B Low-refractive-index optical fiber coating 长飞光纤光缆股份有限公司 2022-11-04 — — CN claimed
CN-115074017-A UV metal exterior wall coating for metal carved board and preparation method thereof 北京钢研新冶环科科技有限公司 2022-09-20 — — CN claimed
CN-111333543-B Synthesis method of rilpivirine intermediate 武汉工程大学 2022-09-16 — — CN claimed
CN-114773985-A Low-refractive-index optical fiber coating 长飞光纤光缆股份有限公司 2022-07-22 — — CN claimed
WO-2021140164-A1 CARPET TILE, AND CARPET COVERING MADE OF SUCH CARPET TILES I4F LICENSING NV (BE) 2021-07-15 — — WO claimed
CN-111333543-A Synthesis method of rilpivirine intermediate 武汉工程大学 2020-06-26 — — CN claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 — — US claimed
WO-2019196369-A1 THIAZOLO-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 山东大学 2019-10-17 — — WO claimed
WO-2019196370-A1 FIVE-MEMBERED NON AROMATIC RING-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF 山东大学 2019-10-17 — — WO claimed
EP-2872492-B1 PROCESS FOR THE PREPARATION OF RILPIVIRINE USING A NOVEL INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2018-01-31 — — EP 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
CN-103980813-B Alicyclic epoxy urethane acrylate ultraviolet-curing paint and preparation method thereof 东南大学 2016-07-06 — — CN claimed
CN-104293164-A Oleic acid modified aliphatic epoxy polyurethane acrylic ester ultraviolet curing coating and preparation method thereof UNIV SOUTHEAST 2015-01-21 — — CN claimed
CN-103980813-A Cycloaliphatic epoxy polyurethane acrylate ultraviolet-curable coating and preparation method of ultraviolet-curable coating UNIV SOUTHEAST 2014-08-13 — — CN 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

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-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.

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