SCHEMBL2751322

SCHEMBL2751322

Cc1ccc(-c2c[c]n(C)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.39
▸ ALPL P05186 2/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPT P10636 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CRHR1 P34998 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ESRRA P11474 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 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
SCHEMBL2751770 0.86 ESRRA (0.42) TLR8MAPTLMNAGAAL3MBTL1
SCHEMBL3448871 0.73 KMT2A (0.42) TLR8ALPLCA9MAPTNPSR1
SCHEMBL2753763 0.72 TLR8 (0.39) TLR8ALDH1A1MEN1KMT2AATM
SCHEMBL2752212 0.71 F2RL3 (0.41) ALPLTP53PDE10A
SCHEMBL2751961 0.70 MAPT (0.39) ALPLCA9MAPTLMNATP53
SCHEMBL2751622 0.69 TLR8 (0.36) TLR8MAPTKMT2A
SCHEMBL24732287 0.68 CCR1 (0.64) TLR8ALPLCA9MAPTNPSR1
SCHEMBL2752292 0.68 CYP1A1 (0.49) ALPLCA9MAPTGAAL3MBTL1
SCHEMBL2750788 0.68 S100A4 (0.33) HPGDKDM4E
SCHEMBL3043421 0.67 TDP1 (0.52) ALPLCA9MAPTLMNAGAA

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 997/4885ALPL 2519/4885CA9 1988/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 TLR8 1538/4885ALPL 1004/4885CA9 1660/4885

“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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