SCHEMBL3406541

SCHEMBL3406541

c1cnc(-c2cccnn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
KDM4E B2RXH2 8/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL25493617 0.86 TP53 (0.38) TP53KDM4ELMNACCR1CCR5
SCHEMBL27946276 0.84 TP53 (0.37) TP53KDM4ELMNACCR1CCR5
SCHEMBL1456807 0.81 GOT1 (0.46) TP53KDM4ELMNACCR1CCR5
SCHEMBL30792004 0.81 GOT1 (0.46) TP53KDM4ELMNACCR1CCR5
SCHEMBL29442588 0.81 GOT1 (0.46) TP53KDM4ELMNACCR1CCR5
SCHEMBL30686995 0.81 GRM5 (0.39) TP53KDM4ELMNACCR1CCR5
SCHEMBL322178 0.78 KDM4E (0.70) TP53KDM4ELMNACCR1CCR5
SCHEMBL31609343 0.78 KDM4E (0.70) TP53KDM4ELMNACCR1CCR5
SCHEMBL6629729 0.78 KDM4E (0.35) TP53KDM4EALOX15L3MBTL1TDP1
SCHEMBL8894101 0.78 KDM4E (0.36) TP53KDM4ENPC1RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194425-B1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA GMBH (DE) 2005-08-10 EP claimed
EP-3892617-B1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR UNIMATEC CO LTD (JP) 2025-04-30 EP disclosed
US-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same UNIMATEC CO., LTD. (JP) 2024-07-23 US disclosed
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
CN-112739689-B Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME UNIMATEC CO., LTD. (JP) 2021-12-30 US disclosed
EP-3892617-A1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR Unimatec Co., Ltd. (JP) 2021-10-13 EP disclosed
CN-112739689-A Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2021-04-30 CN disclosed
US-10821433-B2 Ion exchange resins, purification methods and methods of making ionic resins ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-11-03 US disclosed
WO-1999009032-A1 CARBAPENEMS WITH NAPHTHOSULTAM DERIVATIVE LINKED VIA METHYLENE MERCK & CO., INC. (US) 1999-02-25 WO disclosed
WO-1998043651-A1 MUR D INHIBITING COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1998-10-08 WO disclosed
WO-1998010761-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1998-03-19 WO disclosed
WO-1997040048-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1997-10-30 WO disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 EP disclosed
US-5626791-A FERROELECTRIC LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 EP disclosed
CN-1032239-C Process for selective removal of inorganic and/or organic sulfur-containing compounds UBE INDUSTRIES (JP) 1996-07-10 CN disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 WO disclosed
CN-1063052-A The method of selective removal of inorganic and/or sulfur-containing organic compound UBE INDUSTRIES (JP) 1992-07-29 CN 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 (4 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-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 TP53 1461/4885KDM4E 3466/4885LMNA 3483/4885
US-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same CNOT1, NUDT1, XRN2 TP53 2258/4885KDM4E 4521/4885LMNA 2304/4885
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME CNOT1, NUDT1, XRN2 TP53 2258/4885KDM4E 4521/4885LMNA 2304/4885
US-10821433-B2 Ion exchange resins, purification methods and methods of making ionic resins TST, SLC6A9, TEX10 TP53 3317/4885KDM4E 1279/4885LMNA 4608/4885

“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.