SCHEMBL2751692

SCHEMBL2751692

N#Cc1ccc(-c2cs[c]n2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP11B2 P19099 5/20 0.37
▸ CYP11B1 P15538 4/20 0.37
▸ HPGD P15428 2/20 0.35
▸ MAOA P21397 3/20 0.34
▸ MAOB P27338 3/20 0.34
▸ AAK1 Q2M2I8 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17626057 0.80 CYP11B1 (0.39) ALDH1A1KDM4ELMNACYP11B2CYP11B1
SCHEMBL17626255 0.79 CYP11B1 (0.41) CYP11B2CYP11B1
SCHEMBL1433870 0.77 GAA (0.49) KDM4ECYP11B2MAOAMAOB
SCHEMBL28698785 0.75 TDO2 (0.36) ALDH1A1KDM4EHTTLMNACYP11B2
SCHEMBL2753884 0.74 STS (0.31) —
SCHEMBL2752780 0.74 GRM5 (0.41) —
SCHEMBL2752241 0.74 KDM4E (0.34) ALDH1A1KDM4EHTT
SCHEMBL6050917 0.71 AR (0.43) —
SCHEMBL2751058 0.71 STS (0.40) CYP11B2CYP11B1
SCHEMBL16277098 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHTTRXFP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541764-B Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE 2012-10-10 — — CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 — — US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 — — US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 — — US disclosed
CN-101541762-A Pyridazin-4-ylmethyl-sulfonamide compounds as fungicides and against arthropods BASF SE (DE) 2009-09-23 — — CN disclosed
CN-101541764-A Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE (DE) 2009-09-23 — — CN 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 ALDH1A1 1588/4885KDM4E 1607/4885HTT 2587/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885KDM4E 242/4885HTT 3530/4885

“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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