SCHEMBL2750486

SCHEMBL2750486

N#Cc1ccc(On2c[c]cn2)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
EGLN2 Q96KS0 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
STS P08842 1/20 0.31
AR P10275 3/20 0.31
ESRRA P11474 1/20 0.31
ICMT O60725 1/20 0.31
CYP19A1 P11511 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
SCHEMBL3142693 0.91 EGLN2 (0.32) LRRK2EGLN2CYP11B1CYP11B2AR
SCHEMBL2749911 0.78 CYP19A1 (0.41) KDM4EUSP2ALDH1A1ARCYP19A1
SCHEMBL2750712 0.77 LRRK2 (0.34) LRRK2KDM4EUSP2ALDH1A1
SCHEMBL2752967 0.73 LRRK2 (0.33) LRRK2KDM4EUSP2ALDH1A1STS
SCHEMBL2753435 0.73 SMN1; SMN2 (0.36) KDM4E
SCHEMBL2752434 0.72 KCNH2 (0.31)
SCHEMBL2750774 0.71 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL2750812 0.70 KDM4E (0.32) EGLN2KDM4EALDH1A1CYP19A1
SCHEMBL2753780 0.70 CASP3 (0.34) EGLN2CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL30488974 0.70 IMPDH2 (0.45) KDM4EUSP2ALDH1A1STS

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 LRRK2 3062/4885EGLN2 2114/4885CYP11B1 1841/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 LRRK2 4181/4885EGLN2 1875/4885CYP11B1 1476/4885

“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.