SCHEMBL2753076

SCHEMBL2753076

N#Cc1ccc(-n2cc[c]n2)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
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
SCHEMBL2750671 0.88 KDM4E (0.33) KDM4EALDH1A1GLAGAAIMPDH2
SCHEMBL2753780 0.74 CASP3 (0.34) KDM4ELMNACRHR1ALDH1A1GLA
SCHEMBL2752877 0.72 KDM4E (0.44) KDM4ELMNACRHR1ALDH1A1CASP3
SCHEMBL2752036 0.72 SMN1; SMN2 (0.46) KDM4EALDH1A1GAA
SCHEMBL2750712 0.72 LRRK2 (0.34) KDM4EALDH1A1
SCHEMBL2752234 0.71 GRM5 (0.31)
SCHEMBL2753937 0.71 ALDH1A1 (0.42) KDM4ELMNAALDH1A1
SCHEMBL2751901 0.70 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL2750807 0.69 FNTA (0.33)
SCHEMBL25418472 0.65 STS (0.50) ALDH1A1CASP3IMPDH2IMPDH1

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 KDM4E 1607/4885LMNA 4514/4885CRHR1 4881/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 KDM4E 242/4885LMNA 3316/4885CRHR1 4841/4885

“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.