SCHEMBL3869658

SCHEMBL3869658

NC(=O)Nc1cc(Br)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 2/20 0.47
CES2 O00748 1/20 0.47
GALR3 O60755 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
GSTA1 P08263 1/20 0.44
PLAU P00749 2/20 0.44

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
SCHEMBL22394778 0.82 MEN1 (0.51) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL13257848 0.81 L3MBTL1 (0.48) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL19143862 0.81 HDAC1 (0.55) KMT2ASMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL2325682 0.81 SMN1; SMN2 (0.57) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL5697011 0.80 PEPD (0.52) KMT2AMEN1KDM4EGAAHDAC1
SCHEMBL20310345 0.79 KMT2A (0.46) KMT2AMEN1RAB9AMAPTGAA
SCHEMBL31436922 0.79 POLB (0.46) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL9775415 0.79 HDAC1 (0.56) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL23226412 0.78 HDAC1 (0.50) KMT2AMEN1HPGDMAPTKDM4E
SCHEMBL30499697 0.78 KIF11 (0.51) KMT2AMEN1HPGDSMN1; SMN2RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388189-B2 Pyrrolotriazinone derivatives as PI3K inhibitors ALMIRALL, S.A. (ES) 2016-07-12 US disclosed
US-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-10-15 US disclosed
EP-2909207-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS Almirall S.A. (ES) 2015-08-26 EP disclosed
WO-2014060432-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-04-24 WO disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
CN-101228158-A N-amide derivatives of 8-azabicyclo[3.2.1]oct-3-yl as ccr1 antagonists ALMIRALL LAB (ES) 2008-07-23 CN disclosed
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO 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-20150291595-A1 PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS PIK3CB, PIK3CD, PIK3CA KMT2A 2530/4885MEN1 4339/4885HPGD 1181/4885
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 KMT2A 2987/4885MEN1 4445/4885HPGD 1652/4885

“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.