SCHEMBL2752628

SCHEMBL2752628

N#Cc1ccc(-c2n[c]cs2)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
EGLN2 Q96KS0 3/20 0.30
AR P10275 2/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 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
SCHEMBL2751296 0.88 CYP19A1 (0.30) CYP19A1IMPDH2IMPDH1
SCHEMBL20582838 0.75 GAA (0.41) CYP19A1CYP11B2
SCHEMBL25418472 0.73 STS (0.50) STSCYP11B1CYP11B2IMPDH2IMPDH1
SCHEMBL2752021 0.72 STS (0.37) STSEGLN2
SCHEMBL2750655 0.72 LRRK2 (0.39) AR
SCHEMBL2752239 0.71 HRH3 (0.33)
SCHEMBL2754366 0.71 ALDH1A1 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL2751788 0.71 STS (0.38) STSIMPDH2IMPDH1
SCHEMBL2752119 0.70 KDM4E (0.33)
SCHEMBL2753706 0.69 STS (0.43) STSCYP19A1CYP11B1CYP11B2

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 7 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
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO 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 10/4885CYP19A1 2417/4885CYP11B1 1841/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 STS 6/4885CYP19A1 2023/4885CYP11B1 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.