SCHEMBL12866284

SCHEMBL12866284

CN1CCN(c2cc(N)cc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.51
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
PTK2B Q14289 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
DRD2 P14416 2/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
MAP4K1 Q92918 1/20 0.40
JAK2 O60674 6/20 0.39
JAK1 P23458 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
JAK3 P52333 3/20 0.39

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
SCHEMBL2463573 0.87 PIK3CA (0.40) ADRA2CMAPTKDM4EGAAALDH1A1
SCHEMBL27794415 0.83 DRD2 (0.50) GAAALDH1A1KMT2ADRD2JAK2
SCHEMBL1172898 0.83 AKR1C3 (0.47) MAPT
SCHEMBL12865220 0.82 DRD2 (0.44) KMT2ADRD2MAP4K1JAK2JAK1
SCHEMBL22712693 0.80 ADRA2C (0.68) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL2013498 0.80 ADRA2C (0.68) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL5010073 0.76 ADRA2C (0.58) ADRA2CMAPTKDM4EGAAPTK2B
SCHEMBL1172592 0.76 SIRT6 (0.55) MAPTALDH1A1GFERHTTSIRT6
SCHEMBL21442594 0.75 DRD2 (0.71) ADRA2CDRD2JAK2JAK3
SCHEMBL28170767 0.74 AKR1C3 (0.58) ADRA2CMAPTKDM4EGAAPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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 (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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 ADRA2C 668/4885MAPT 3778/4885KDM4E 2176/4885

“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.