SCHEMBL4579208

SCHEMBL4579208

CCc1cnc(Cl)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
JUN P05412 3/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DHFR P00374 3/20 0.32
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PDXK O00764 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AURKA O14965 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL30238970 1.00 NOS3 (0.36) NOS3NOS1NOS2TYRO3DYRK1B
Formic Acid SCHEMBL29024515 0.90 JUN (0.33) NOS3NOS1NOS2TYRO3DYRK1B
SCHEMBL6219173 0.83 AURKA (0.34) JUNNFKB1NFKB2RELAKDM4E
SCHEMBL10523216 0.80 JUN (0.41) NOS3NOS1NOS2TYRO3DYRK1B
SCHEMBL10520740 0.80 NOS3 (0.39) NOS3NOS1NOS2TYRO3DYRK1B
SCHEMBL25147465 0.80 DHFR (0.49) NOS3NOS1NOS2DHFR
SCHEMBL3705875 0.80 LMNA (0.40) NOS3NOS1NOS2NFKB1ALDH1A1
SCHEMBL30961287 0.79 ALDH1A1 (0.31) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25918302 0.79 JUN (0.33) NOS3NOS1NOS2TYRO3DYRK1B
SCHEMBL4321200 0.79 KMT2A (0.39) TYRO3DYRK1BKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
WO-2026101724-A1 AMINO PYRIMIDINE AND AMINO TRIAZINE ANALOGS FOR TREATING CANCER NEREID THERAPEUTICS INCORPORATED (US) 2026-05-15 WO disclosed
EP-4709381-A1 PARP1 INHIBITOR COMPOUNDS Duke Street Bio Limited (GB) 2026-03-18 EP disclosed
EP-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
EP-4551570-A1 NOVEL COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Dong-A ST Co., Ltd. (KR) 2025-05-14 EP disclosed
WO-2025092905-A1 PARP INHIBITORS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-05-08 WO disclosed
WO-2025091346-A1 PARP INHIBITORS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-05-08 WO disclosed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
CN-119403798-A Novel compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof 东亚ST 株式会社 2025-02-07 CN disclosed
EP-1565467-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Proskelia SAS (FR) 2005-08-24 EP disclosed
EP-1560829-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-20040110773-A1 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 WO disclosed
WO-2004041821-A1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 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-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR NOS3 3232/4885NOS1 2715/4885NOS2 2510/4885
US-20050075272-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FYN NOS3 3685/4885NOS1 3727/4885NOS2 3735/4885
US-20040110773-A1 Pyrimido compounds having antiproliferative activity SRC, LYN, TK1 NOS3 3244/4885NOS1 3371/4885NOS2 3529/4885

“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.