SCHEMBL2376795

SCHEMBL2376795

O=C(c1cccc(Br)c1F)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 4/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
ERN1 O75460 1/20 0.50
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL17974500 0.86 ERN1 (0.58) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18706737 0.84 HPGD (0.69) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL18707039 0.84 HPGD (0.69) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1663182 0.84 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL31661720 0.84 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL25077827 0.82 PKM (0.58) HPGDGAASMN1; SMN2ALDH1A1TP53
SCHEMBL158840 0.82 HPGD (0.53) HPGDGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29486100 0.82 GAA (0.52) GAASMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL28746378 0.82 GAA (0.52) GAASMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL2375485 0.82 ALDH1A1 (0.55) HPGDGAASMN1; SMN2ALDH1A1TP53

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 HPGD 1383/4885GAA 2827/4885SMN1; SMN2 3098/4885

“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.