SCHEMBL2817704

SCHEMBL2817704

NC(=O)C=Cc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.69
NFKB1 P19838 1/20 0.69
CCNC P24863 1/20 0.53
CDK8 P49336 1/20 0.53
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A1 P04798 4/20 0.47
CYP1B1 Q16678 4/20 0.47
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 2/20 0.45
PFKFB3 Q16875 1/20 0.43

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
SCHEMBL5717702 1.00 JUN (0.69) JUNNFKB1CCNCCDK8KDM1A
SCHEMBL2817703 1.00 JUN (0.69) JUNNFKB1CCNCCDK8KDM1A
SCHEMBL1450230 0.84 F3 (0.52) HDAC1HDAC6CYP1A2MAPTALDH1A1
SCHEMBL5598760 0.82 JUN (1.00) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL5598762 0.82 JUN (1.00) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL333510 0.80 NFKB1 (0.72) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL5717836 0.80 NFKB1 (0.72) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL333511 0.80 NFKB1 (0.72) JUNNFKB1KDM1AHDAC1HDAC6
Hydrochloric Acid SCHEMBL11970821 0.80 JUN (0.95) JUNNFKB1KDM1AHDAC1HDAC6
Hydrochloric Acid SCHEMBL11970816 0.80 JUN (0.95) JUNNFKB1KDM1AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO claimed
WO-2024120442-A1 PAK4 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CONVERGEN (SUZHOU) PHARMACEUTICAL CO., LTD. (CN) 2024-06-13 WO disclosed
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 CN disclosed
CN-108440515-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2022-05-03 CN disclosed
CN-108504074-A Methylene blue is used as the purposes of polymerization inhibitor under anaerobic or hypoxia condition 国药集团化学试剂有限公司 2018-09-07 CN disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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 (2 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 JUN 3918/4885NFKB1 757/4885CCNC 2654/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 JUN 4039/4885NFKB1 1214/4885CCNC 2650/4885

“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.