SCHEMBL2333889

SCHEMBL2333889

N#Cc1cc(N)ccc1-n1cccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 7/20 0.46
ALDH1A1 P00352 7/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
AR P10275 1/20 0.34
RECQL P46063 1/20 0.33
MDM4 O15151 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL10915016 0.75 KDM4E (0.59) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL3156791 0.74 MAPT (0.60) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL840625 0.74 MAPT (0.59) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL13082241 0.74 ALDH1A1 (0.60) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL12297743 0.74 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL12245438 0.74 KDM4E (0.58) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL6052447 0.73 ALDH1A1 (0.61) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL19814169 0.73 KDM4E (0.57) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL5793163 0.73 ALDH1A1 (0.61) KDM4ELMNAMAPTALDH1A1GAA
SCHEMBL29637047 0.73 KDM4E (0.56) KDM4ELMNAMAPTALDH1A1GAA

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
WO-2014183300-A1 VEGFR TYROSINE KINASE INHIBITORS SUZHOU VIVOTIDE BIOTECHNOLOGIES CO., LTD. (CN) 2014-11-20 WO disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
US-7812022-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-12 US disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 US disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 WO disclosed
US-4617316-A Insecticidal heteroaryl substituted phenyl benzoylureas FMC CORPORATION (US) 1986-10-14 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 KDM4E 2120/4885LMNA 3790/4885MAPT 3706/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 KDM4E 2673/4885LMNA 4786/4885MAPT 2888/4885

“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.