SCHEMBL2376647

SCHEMBL2376647

COc1ccccc1-c1nc(N2CCOCC2)nc(O)c1CCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 1/20 0.48
AGER Q15109 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIK3CA P42336 4/20 0.47
CNR2 P34972 1/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL27781488 0.94 MEN1 (0.50) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2376652 0.83 ALDH1A1 (0.51) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2379106 0.82 PIK3CA (0.55) MEN1KMT2AMAPTLMNATSHR
SCHEMBL27781485 0.80 MEN1 (0.48) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL27760101 0.79 MEN1 (0.50) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2376722 0.75 PIK3CA (0.56) MEN1KMT2AMAPTLMNATSHR
SCHEMBL5633057 0.73 MAPT (0.49) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL4110255 0.70 PIK3CA (0.52) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL17681924 0.70 CYP1A2 (0.58) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2826920 0.70 HTT (0.44) KMT2AKDM4ELMNAHSD17B10PIK3CA

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
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
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 MEN1 2881/4885KMT2A 2799/4885KDM4E 2852/4885

“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.