SCHEMBL17101321

SCHEMBL17101321

CCCCCCN(CCNC(=O)O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
ACKR3 P25106 2/20 0.52
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
NCOR2 Q9Y618 2/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ICMT O60725 1/20 0.49
ALB P02768 1/20 0.49
KCNH2 Q12809 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL22777567 0.89 APP (0.59) APPACKR3HDAC3HDAC1HDAC2
SCHEMBL25418585 0.87 HDAC3 (0.49) APPACKR3HDAC3HDAC1HDAC2
SCHEMBL23859928 0.85 HDAC3 (0.47) APPACKR3HDAC3HDAC1HDAC2
SCHEMBL17108644 0.84 AKT1 (0.49) APPACKR3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL23859920 0.84 HDAC3 (0.46) APPACKR3HDAC3HDAC1HDAC2
SCHEMBL1260761 0.83 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11359571 0.83 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9005868 0.83 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL7606887 0.83 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9005882 0.83 KCNH2 (0.66) HDAC3HDAC1HDAC2HDAC8NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
US-10336725-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-07-02 US disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
EP-3119752-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2017-01-25 EP disclosed
WO-2015140527-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-09-24 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 (5 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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A APP 2880/4885ACKR3 1094/4885HDAC3 980/4885
US-10336725-B2 Chemical compounds CFTR, SCNN1B, SCNN1A APP 2880/4885ACKR3 1094/4885HDAC3 980/4885
US-20180162838-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A APP 2880/4885ACKR3 1094/4885HDAC3 980/4885
US-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A APP 2880/4885ACKR3 1094/4885HDAC3 980/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A APP 2880/4885ACKR3 1094/4885HDAC3 980/4885

“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.