SCHEMBL3239463

SCHEMBL3239463

Oc1cncc2cncnc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.37
MMP2 P08253 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
COMT P21964 1/20 0.31
ADRA1A P35348 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
P4HB P07237 1/20 0.30

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
SCHEMBL14595325 0.77 KDM4E (0.44) EGFRCOMTKDM4ENPC1RAB9A
SCHEMBL276426 0.76 METAP2 (0.55) EGFRMMP2CHRM1TSHRCOMT
SCHEMBL30615115 0.76 KDM4E (0.34) EGFRKDM4ENPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL28754132 0.74 METAP2 (0.53) EGFRMMP2CHRM1TSHRCOMT
SCHEMBL24857275 0.71 EGFR (0.37) EGFRP4HB
SCHEMBL31610186 0.71 EGFR (0.37) EGFR
SCHEMBL10200872 0.71 EGFR (0.37) EGFR
SCHEMBL13313458 0.71 KDM4E (0.32) METAP2KDM4E
SCHEMBL277027 0.71 MMP2 (0.61) MMP2CHRM1TSHRCOMTADRA1A
SCHEMBL28478447 0.71 P4HB (0.42) EGFRKDM4EP4HB

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
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
EP-1558585-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LTD (AU) 2008-07-02 EP disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 US disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 EGFR 4826/4885MMP2 1622/4885CHRM1 533/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 EGFR 4841/4885MMP2 1565/4885CHRM1 477/4885

“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.