SCHEMBL5045196

SCHEMBL5045196

Cc1ccc(S(=O)(=O)NC(C)(C)CO)cc1NC(=O)c1cnn2c(C3CC3)cc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK14 Q16539 3/20 0.42
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLAT P00750 1/20 0.37
KIF18A Q8NI77 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5045719 0.92 POLB (0.44) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL5032617 0.88 TP53 (0.36) POLBTP53KDM4EALDH1A1MAPK14
SCHEMBL5044973 0.88 KIF18A (0.50) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL1378522 0.85 TP53 (0.40) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL1938948 0.83 POLB (0.38) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL5049380 0.81 KDM4E (0.49) POLBTP53KDM4EALDH1A1MAPT
SCHEMBL5035231 0.81 KIF18A (0.35) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL5045480 0.80 KIF18A (0.51) POLBTP53KDM4EALDH1A1KMT2A
SCHEMBL5048797 0.80 KIF18A (0.49) POLBTP53KDM4EKMT2AKIF18A
SCHEMBL5041096 0.80 POLB (0.56) POLBTP53KDM4EALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US claimed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US claimed
US-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 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 (1 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 POLB 2158/4885TP53 1281/4885KDM4E 3638/4885

“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.