SCHEMBL2376356

SCHEMBL2376356

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
DGAT1 O75907 2/20 0.42
UCHL1 P09936 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL2378626 0.85 DGAT1 (0.46) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL23534276 0.82 SNCA (0.39) DGAT1CYP1A2CYP2D6TSHRALDH1A1
SCHEMBL29778784 0.82 DGAT1 (0.39) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL2377085 0.82 UCHL1 (0.42) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL2377518 0.82 UCHL1 (0.44) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL23641247 0.82 DGAT1 (0.39) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL24696660 0.81 DGAT1 (0.38) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL30039774 0.81 DGAT1 (0.38) LMNAMAPTDGAT1UCHL1CYP1A2
SCHEMBL20657655 0.79 DGAT1 (0.52) DGAT1UCHL1SNCALPLLIPG
SCHEMBL2377024 0.79 SNCA (0.39) LMNAMAPTDGAT1UCHL1CYP1A2

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
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-12-23 US disclosed
EP-2239261-A1 PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 2010-10-13 EP 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 (2 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 LMNA 4407/4885MAPT 4385/4885DGAT1 2729/4885
US-20100324284-A1 PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF CSNK1A1, CSK, CSNK1A1L LMNA 2167/4885MAPT 4731/4885DGAT1 4732/4885

“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.