SCHEMBL2753763

SCHEMBL2753763

Cc1cccc(-c2c[c]n(C)n2)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ NUDT1 P36639 4/20 0.38
▸ P2RX7 Q99572 2/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ AVPR2 P30518 1/20 0.30
▸ OXTR P30559 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL2751622 0.80 TLR8 (0.36) TLR8KMT2A
SCHEMBL2752911 0.75 CNR2 (0.43) CNR2NUDT1P2RX7
SCHEMBL18378772 0.73 KMT2A (0.47) TLR8CNR2NUDT1P2RX7MEN1
SCHEMBL2751770 0.72 ESRRA (0.42) TLR8MEN1ALDH1A1KMT2AATM
SCHEMBL2751322 0.72 TLR8 (0.39) TLR8MEN1ALDH1A1KMT2AATM
SCHEMBL2752116 0.71 TLR8 (0.43) TLR8P2RX7MEN1ALDH1A1KMT2A
SCHEMBL2751907 0.70 KEAP1 (0.48) NUDT1MEN1ALDH1A1POLBKMT2A
SCHEMBL2753944 0.69 PRMT5 (0.33) KMT2A
SCHEMBL2753566 0.68 F2RL3 (0.37) —
SCHEMBL218508 0.67 TRPA1 (0.52) CNR2NUDT1P2RX7ALDH1A1POLB

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 TLR8 997/4885CNR2 2252/4885NUDT1 76/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TLR8 1538/4885CNR2 2323/4885NUDT1 3229/4885

“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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