SCHEMBL903214

SCHEMBL903214

O=C(c1ccccc1)c1c(Cl)ncnc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRD5A2 P31213 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
AKR1C3 P42330 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL19602204 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ATMTDP1
SCHEMBL19545066 0.84 MAPK13 (0.61) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL17407850 0.84 SRD5A2 (0.57) KMT2AMEN1SRD5A2NPC1RAB9A
SCHEMBL15524835 0.82 PDE4A (0.34) ALDH1A1L3MBTL1ADORA3ADORA2AADORA1
SCHEMBL19533484 0.82 HPGD (0.47) ALDH1A1L3MBTL1NPC1RAB9AHPGD
SCHEMBL19869979 0.80 LMNA (0.50) KMT2AMEN1L3MBTL1CES2CES1
SCHEMBL18085457 0.79 KMT2A (0.47) ALDH1A1KMT2AMEN1ATMTDP1
SCHEMBL30695109 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1ATMTDP1
SCHEMBL28474367 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1ATMTDP1
SCHEMBL22476347 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
US-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines SANDOZ AG (CH) 2017-11-16 US disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 WO disclosed
WO-2012044993-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-05 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-20170327504-A1 Synthesis of Substituted 1H-Pyrazolo[3,4-D]Pyrimidines BTK, ABL1, SYK ALDH1A1 954/4885KMT2A 1739/4885MEN1 3069/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 ALDH1A1 2211/4885KMT2A 3322/4885MEN1 3883/4885

“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.