SCHEMBL2377883

SCHEMBL2377883

CN1CCN(S(=O)(=O)CCc2ccc(Br)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
GPR183 P32249 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL2929978 0.84 L3MBTL1 (0.71) L3MBTL1USP2SMN1; SMN2NPC1POLB
SCHEMBL1239240 0.73 SIGMAR1 (0.57) L3MBTL1SIGMAR1
SCHEMBL30137244 0.72 HRH3 (0.51) L3MBTL1LMNASMN1; SMN2HTTPOLB
SCHEMBL13729458 0.72 MEN1 (0.51) NPC1SIGMAR1
SCHEMBL27750807 0.72 NPC1 (0.42) L3MBTL1LMNANPC1SIGMAR1MAPT
SCHEMBL1156725 0.71 ATM (0.69) L3MBTL1LMNAUSP2SMN1; SMN2HTT
SCHEMBL30137230 0.71 HRH3 (0.50) L3MBTL1LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL28249031 0.70 SIGMAR1 (0.62) SIGMAR1
SCHEMBL1684354 0.70 PTGS2 (0.47) L3MBTL1HTTPOLBTSHR
SCHEMBL2933315 0.70 L3MBTL1 (0.56) L3MBTL1NPC1SIGMAR1TSHR

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
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 L3MBTL1 2077/4885LMNA 4407/4885USP2 3578/4885

“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.