SCHEMBL17481981

SCHEMBL17481981

CC(C)(C)c1cc2n(n1)CCCN2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
RPS6KA2 Q15349 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
GRM5 P41594 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
SCHEMBL25594654 0.89 GRN (0.33) KDM4EGRNSORT1HRH4GRM5
SCHEMBL15456362 0.83 ADRB1 (0.33) KDM4ERPS6KA2
SCHEMBL16120856 0.77 UHRF1 (0.33) KDM4E
SCHEMBL18649629 0.74 RPS6KA3 (0.32) RPS6KA2
SCHEMBL20027021 0.73 PDCD1 (0.36) KDM4EGRM5
SCHEMBL22628402 0.73 CHRNB2 (0.31)
SCHEMBL17484535 0.72
SCHEMBL25094602 0.70 CYP11B2 (0.50) KDM4EGRNSORT1GRM5
SCHEMBL25594656 0.70
SCHEMBL12622660 0.69 GRM5 (0.40) KDM4EGRNSORT1GRM5

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
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-08 US disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
US-10179781-B2 Sodium channel modulators for the treatment of pain CHROMOCELL CORPORATION 2019-01-15 US disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9458118-B2 Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORPORATION (US) 2016-10-04 US disclosed
US-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-08-04 US disclosed
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-05-12 US disclosed
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN CHROMOCELL CORPORATION (US) 2016-02-18 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 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 (8 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-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A KDM4E 3511/4885GRN 4142/4885SORT1 3701/4885
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A KDM4E 3511/4885GRN 4142/4885SORT1 3701/4885
US-20160031838-A1 SMYD2 INHIBITORS SMYD2, SMYD3, NSD1 KDM4E 43/4885GRN 3765/4885SORT1 3809/4885
US-10179781-B2 Sodium channel modulators for the treatment of pain SCN7A, SCN10A, SCN2A KDM4E 3640/4885GRN 3923/4885SORT1 3482/4885
US-11718631-B2 Sulphonamides and compositions thereof for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 KDM4E 2422/4885GRN 3158/4885SORT1 628/4885
US-20160046617-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN SCN7A, SCN10A, SCN2A KDM4E 3640/4885GRN 3923/4885SORT1 3482/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B KDM4E 444/4885GRN 4653/4885SORT1 4822/4885
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES SCN7A, SCN1A, SCN1B KDM4E 2353/4885GRN 3477/4885SORT1 2707/4885

“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.