SCHEMBL2379008

SCHEMBL2379008

CCN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.66
ABL1 P00519 1/20 0.58
RIN1 Q13671 1/20 0.58
HTT P42858 2/20 0.58
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2377670 0.85 ALDH1A1 (0.58) TSHRABL1RIN1ALDH1A1PKM
SCHEMBL2377587 0.84 TSHR (0.64) TSHRHTTPOLBALDH1A1MAPT
SCHEMBL1156718 0.84 ABL1 (0.58) TSHRABL1RIN1HTTPOLB
SCHEMBL29859274 0.83 ALDH1A1 (0.66) TSHRABL1RIN1HTTPOLB
SCHEMBL16492268 0.83 ALDH1A1 (0.71) TSHRABL1RIN1HTTPOLB
SCHEMBL17790336 0.83 ALDH1A1 (0.66) TSHRABL1RIN1HTTPOLB
SCHEMBL14501508 0.82 MEN1 (0.66) TSHRABL1RIN1POLBALDH1A1
SCHEMBL16492273 0.82 MEN1 (0.66) TSHRABL1RIN1POLBALDH1A1
SCHEMBL12498305 0.81 TSHR (0.75) TSHRHTTPOLBALDH1A1MAPT
SCHEMBL2375584 0.80 POLB (0.68) TSHRHTTPOLBALDH1A1MAPT

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN 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
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN 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 TSHR 3412/4885ABL1 221/4885RIN1 536/4885

“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.