SCHEMBL2751961

SCHEMBL2751961

Cc1ccc(-c2c[c]n(C)n2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALPL P05186 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAP3K14 Q99558 1/20 0.35
▸ CTSK P43235 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2749827 0.77 METAP2 (0.41) —
SCHEMBL2751108 0.77 AHR (0.43) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2752324 0.77 ALDH1A1 (0.39) USP2NPC1POLBALDH1A1NOTUM
SCHEMBL2751298 0.76 ADORA2A (0.30) —
SCHEMBL19773733 0.76 KEAP1 (0.55) MAPTUSP2NPC1ALPLCA9
SCHEMBL16447242 0.74 NPC1 (0.39) MAPTUSP2NPC1TP53SMN1; SMN2
SCHEMBL22506625 0.74 SCN4A (0.49) NPC1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL2751770 0.74 ESRRA (0.42) MAPTTP53MEN1KMT2ALMNA
SCHEMBL1459661 0.72 DYRK1A (0.41) MAPTCA9KMT2ALMNANOTUM
SCHEMBL2753799 0.70 SMN1; SMN2 (0.38) SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAPT 3912/4885USP2 1979/4885NPC1 4195/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 MAPT 3435/4885USP2 1826/4885NPC1 4528/4885

“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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