SCHEMBL2376481

SCHEMBL2376481

c1nc(N2CCOCC2)nc2c1CCCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 4/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3R1 P27986 3/20 0.40
MTOR P42345 2/20 0.40
KMT2A Q03164 2/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2376887 0.91 KDM4E (0.48) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL1020021 0.72 POLB (0.72) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL537818 0.70 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL2807505 0.69 POLB (0.56) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL3721054 0.69 KDM4E (0.49) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL4234859 0.69 KDM4E (0.46) ALDH1A1MAPK1KDM4ETSHRPOLB
SCHEMBL30935211 0.68 NNMT (0.41) KDM4EMAPT
SCHEMBL13355389 0.68 UHRF1 (0.43) MAPT
SCHEMBL20708218 0.68 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3R1MTOR
SCHEMBL13012640 0.66 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3R1MTOR

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
WO-2024023766-A1 P13K INHIBITOR COMBINATION THERAPY BERLIN-CHEMIE AG (DE) 2024-02-01 WO claimed
WO-2024023766-A1 P13K INHIBITOR COMBINATION THERAPY BERLIN-CHEMIE AG (DE) 2024-02-01 WO disclosed
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-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 2102/4885MAPK1 52/4885KDM4E 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.