SCHEMBL2376887

SCHEMBL2376887

c1nc(N2CCOCC2)nc2c1CCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3R1 P27986 1/20 0.42
KMT2A Q03164 3/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL2376481 0.91 ALDH1A1 (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1020021 0.75 POLB (0.72) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2807505 0.71 POLB (0.56) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL3721054 0.71 KDM4E (0.49) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL13012640 0.71 PIK3CA (0.49) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL13872584 0.71 PIK3CA (0.58) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL4234859 0.71 KDM4E (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL12247675 0.70 ALDH1A1 (0.56) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2378251 0.70 HTR2C (0.44) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2812176 0.70 GAA (0.41) KDM4EPOLBSMN1; SMN2ALDH1A1MAPK1

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 7 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-20130123255-A1 COMBINATION OF A PI3K INHIBITOR AND A MEK INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-05-16 US 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 (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 KDM4E 2852/4885POLB 453/4885SMN1; SMN2 3098/4885
US-20130123255-A1 COMBINATION OF A PI3K INHIBITOR AND A MEK INHIBITOR BRAF, JAK2, NRAS KDM4E 1306/4885POLB 1320/4885SMN1; SMN2 2283/4885

“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.