SCHEMBL2378698

SCHEMBL2378698

O=C(c1ccc(Cl)c(Br)c1)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.75
HPGD P15428 4/20 0.67
KMT2A Q03164 2/20 0.64
GLA P06280 1/20 0.64
PHGDH O43175 2/20 0.62
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
NSD2 O96028 1/20 0.57
NR4A1 P22736 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AKR1C3 P42330 1/20 0.56
LRRK2 Q5S007 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2376773 0.88 PKM (0.75) PKMHPGDKMT2AGLAPHGDH
SCHEMBL20516444 0.84 HPGD (0.71) PKMHPGDKMT2AGLAL3MBTL1
SCHEMBL2376032 0.82 HPGD (0.75) PKMHPGDKMT2AGLAPHGDH
SCHEMBL15652033 0.82 KMT2A (0.64) PKMHPGDKMT2AGLAPHGDH
SCHEMBL2377855 0.82 KMT2A (0.64) PKMHPGDKMT2AGLAPHGDH
SCHEMBL9996865 0.80 HSP90AA1 (0.63) PKMHPGDKMT2AGLAPHGDH
SCHEMBL13161947 0.80 HPGD (1.00) PKMHPGDKMT2APHGDHKDM4E
SCHEMBL487574 0.80 PKM (0.77) PKMHPGDKMT2APHGDHKDM4E
SCHEMBL17615025 0.79 PKM (0.71) PKMHPGDKMT2APHGDHKDM4E
SCHEMBL2378109 0.79 HPGD (0.67) PKMHPGDKMT2AGLAPHGDH

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 4 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-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 PKM 1376/4885HPGD 1383/4885KMT2A 2799/4885

“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.