SCHEMBL17101233

SCHEMBL17101233

Cc1ccccc1CC(CN)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 2/20 0.51
▸ GRM5 P41594 1/20 0.43
▸ SCNN1A P37088 11/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ GLA P06280 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ THPO P40225 2/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL17101195 1.00 CTSA (0.51) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL17101459 1.00 CTSA (0.51) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL17101408 0.92 CTSA (0.53) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL17108623 0.89 ADORA2A (0.39) CTSAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL17101507 0.87 CTSA (0.47) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL20239111 0.86 CTSA (0.52) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL28878618 0.86 CTSA (0.52) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL28329413 0.86 CTSA (0.52) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL17108621 0.85 CTSA (0.46) CTSAGRM5SCNN1AALDH1A1KDM4E
SCHEMBL17108624 0.85 CTSA (0.46) CTSAGRM5SCNN1AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 — — US disclosed
CN-106103423-B Pyrazine compounds 阿斯利康(瑞典)有限公司 2019-12-06 — — CN 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 CTSA 2786/4885GRM5 882/4885SCNN1A 3/4885
US-10336725-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CTSA 2786/4885GRM5 882/4885SCNN1A 3/4885
US-20180162838-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CTSA 2786/4885GRM5 882/4885SCNN1A 3/4885
US-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CTSA 2786/4885GRM5 882/4885SCNN1A 3/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CTSA 2786/4885GRM5 882/4885SCNN1A 3/4885

“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.

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