SCHEMBL2753002

SCHEMBL2753002

N#Cc1ccc(-c2cc[c]cn2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.38
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
EGLN2 Q96KS0 9/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL2753231 0.87 KDM1A (0.34) KDM1AMAOAKDM4CIMPDH2IMPDH1
SCHEMBL27883860 0.78 ESR2 (0.41) CLK4
SCHEMBL2753051 0.76 STS (0.37) STSIMPDH2IMPDH1
SCHEMBL2750108 0.76 STS (0.37) STSKDM4CEGLN2CYP11B1CYP11B2
SCHEMBL13261822 0.75 METAP2 (0.50)
SCHEMBL18421762 0.74 GABRA1 (0.36) CYP11B2CLK4
SCHEMBL25418472 0.74 STS (0.50) STSIMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL1416453 0.74 KDM1A (0.43) KDM1ACYP11B1CYP11B2
SCHEMBL2751685 0.74 STS (0.53) STSKDM1AMAOAIMPDH2IMPDH1
SCHEMBL18422424 0.73 GRM5 (0.39) KDM4CCLK4

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 STS 10/4885KDM1A 861/4885MAOA 806/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 STS 6/4885KDM1A 293/4885MAOA 1269/4885

“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.