SCHEMBL7708384

SCHEMBL7708384

N#CC(C#N)=Cc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.70
MAPT P10636 11/20 0.70
KDM4E B2RXH2 10/20 0.70
MEN1 O00255 9/20 0.70
ALDH1A1 P00352 8/20 0.70
LMNA P02545 5/20 0.70
NPSR1 Q6W5P4 3/20 0.70
POLB P06746 1/20 0.70
MAPK1 P28482 3/20 0.60
THRB P10828 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
EGFR P00533 4/20 0.57
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 3/20 0.52
NFKB1 P19838 3/20 0.52
BLM P54132 3/20 0.52
PMP22 Q01453 3/20 0.52
CYP1A2 P05177 2/20 0.52
APEX1 P27695 1/20 0.52

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
SCHEMBL17466932 0.83 MAPT (1.00) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL6201800 0.78 KDM4E (0.53) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL18805084 0.78 KDM4E (0.53) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL6201799 0.78 KDM4E (0.53) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL26552220 0.78 KDM4E (0.53) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL20824922 0.78 KMT2A (0.80) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30844141 0.77 ESR1 (0.63) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL60843 0.76 MAPT (0.76) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL17466936 0.76 MAPT (0.85) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL22208284 0.75 KMT2A (1.00) KMT2AMAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461701-B Calixarene-derivatized supramolecular macrocyclic host compound, preparation method and application thereof 上海大学 2022-10-11 CN claimed
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 CN claimed
CN-113461701-A Calixarene-derivatized supramolecular macrocyclic host compound, preparation method and application thereof 上海大学 2021-10-01 CN claimed
CN-113461701-B Calixarene-derivatized supramolecular macrocyclic host compound, preparation method and application thereof 上海大学 2022-10-11 CN disclosed
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 CN disclosed
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 US disclosed
US-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES HYDRO-QUéBEC (CA) 2021-12-02 US disclosed
CN-113717076-A Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2021-11-30 CN disclosed
CN-113461701-A Calixarene-derivatized supramolecular macrocyclic host compound, preparation method and application thereof 上海大学 2021-10-01 CN disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO disclosed
WO-2020069619-A1 ADDITIVES FOR ELECTROLYTES IN LI-ION BATTERIES HYDRO-QUéBEC (CA) 2020-04-09 WO disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 KMT2A 677/4885MAPT 4525/4885KDM4E 316/4885
US-20210376381-A1 ADDITIVES FOR ELECTROLYTES IN Li-IONS BATTERIES NDUFB9, SLC26A4, SLC9B2 KMT2A 3868/4885MAPT 2848/4885KDM4E 3558/4885

“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.