SCHEMBL2379664

SCHEMBL2379664

CCN1CCN(S(=O)(=O)c2cncc(Br)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CYP2D6 P10635 1/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2376726 0.84 LMNA (0.59) ALDH1A1TSHRKMT2APOLBHTT
SCHEMBL18824663 0.82 ALDH1A1 (0.51) ALDH1A1POLBHTTGAAMAPT
SCHEMBL2379860 0.78 MEN1 (0.66) ALDH1A1CYP2D6TSHRKMT2APOLB
SCHEMBL1369167 0.78 LMNA (0.51) ALDH1A1TSHRKMT2APOLBHTT
SCHEMBL2375584 0.77 POLB (0.68) ALDH1A1CYP2D6TSHRPOLBHTT
SCHEMBL17843480 0.77 USP2 (0.45) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL28106928 0.77 ALDH1A1 (0.43) ALDH1A1CYP2D6TSHRKMT2APOLB
SCHEMBL2408689 0.77 ALDH1A1 (1.00) ALDH1A1CYP2D6TSHRKMT2APOLB
SCHEMBL13188209 0.75 ALDH1A1 (0.60) ALDH1A1CYP2D6TSHRKMT2APOLB
SCHEMBL2402633 0.75 ALDH1A1 (0.70) ALDH1A1CYP2D6TSHRKMT2APOLB

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 5 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
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO 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 ALDH1A1 2102/4885CYP2D6 2197/4885TSHR 3412/4885

“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.