SCHEMBL3763561

SCHEMBL3763561

COC(=O)c1cc2ccc(CN)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.49
ALOX15 P16050 4/20 0.48
XDH P47989 2/20 0.47
ABL1 P00519 3/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SRC P12931 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DAO P14920 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL12028491 0.88 DAO (0.55) ALOX15XDHABL1MEN1KMT2A
SCHEMBL8985848 0.87 ALOX15 (0.49) ALOX15XDHABL1MEN1KMT2A
SCHEMBL6512766 0.82 XDH (0.46) ALOX15XDHABL1MEN1KMT2A
SCHEMBL23168304 0.82 XDH (0.52) ALOX15XDHMEN1KMT2ANPC1
SCHEMBL17092514 0.80 HRH4 (0.55) ALOX15XDHMEN1KMT2ANPC1
SCHEMBL654862 0.80 HRH4 (0.55) ALOX15XDHMEN1KMT2ANPC1
SCHEMBL12255361 0.80 ALOX15 (0.46) ALOX15XDHABL1MEN1KMT2A
SCHEMBL12255172 0.80 ALOX15 (0.46) ALOX15XDHABL1MEN1KMT2A
Hydrochloric Acid SCHEMBL23045607 0.79 HRH4 (0.53) ALOX15XDHMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL31383573 0.79 HRH4 (0.53) ALOX15XDHMEN1KMT2ANPC1

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
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US 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-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG LOXL2 1191/4885ALOX15 223/4885XDH 569/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG LOXL2 1160/4885ALOX15 186/4885XDH 685/4885

“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.