SCHEMBL22323484

SCHEMBL22323484

CC(C)c1ccncc1-c1nc(N)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.41
TRPA1 O75762 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
ADORA2B P29275 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
LIMK1 P53667 4/20 0.32
KRAS P01116 2/20 0.32
BACE1 P56817 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
LATS1 O95835 1/20 0.30
CYP17A1 P05093 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
LIMK2 P53671 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL19927770 0.82 BACE1 (0.42) TRPA1ALDH1A1KDM4EKMT2AKRAS
SCHEMBL29464941 0.82 BACE1 (0.42) TRPA1ALDH1A1KDM4EKMT2AKRAS
SCHEMBL2737349 0.72 RPS6KA3 (0.42) RPS6KA3TRPA1SLC22A12ALDH1A1LIMK1
SCHEMBL1225544 0.71 ADORA2B (0.49) ADORA2BALDH1A1KDM4EKMT2ABACE1
SCHEMBL24910290 0.69 RPS6KA3 (0.46) RPS6KA3TRPA1SLC22A12LIMK1CYP17A1
SCHEMBL12029013 0.69 RPS6KA3 (0.39) RPS6KA3TRPA1SLC22A12ALDH1A1S1PR1
SCHEMBL29435625 0.69 RPS6KA3 (0.39) RPS6KA3TRPA1SLC22A12ALDH1A1S1PR1
SCHEMBL19968786 0.68 BACE1 (0.44) TRPA1ALDH1A1KDM4EKMT2AKRAS
SCHEMBL21733739 0.68 KDM4E (0.41) ALDH1A1KDM4EKMT2ABACE1
SCHEMBL22117225 0.67 BACE1 (0.40) ADORA2BALDH1A1KDM4EKMT2AKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 US disclosed
US-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-04-28 US disclosed
EP-3921313-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-12-15 EP disclosed
WO-2020161623-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-08-13 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 (1 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-20220127247-A1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, P2RY1, P2RX5 RPS6KA3 3471/4885TRPA1 97/4885SLC22A12 594/4885

“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.