SCHEMBL8278889

SCHEMBL8278889

Cc1ccnc(OCc2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ HTR1A P08908 2/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 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
SCHEMBL3887646 0.83 GABRA5 (0.50) MAOAKDM4EMAPTALDH1A1MAPK1
SCHEMBL31240666 0.81 HSD17B10 (0.46) MAOADYRK1AKDM4EMEN1KMT2A
SCHEMBL8278888 0.80 LOX (0.43) MAOAKDM4EMEN1KMT2ACYP11B1
SCHEMBL4933527 0.80 LOXL2 (0.54) CYP2A6MEN1KMT2AHTR1ADRD2
SCHEMBL12102071 0.80 MAOB (0.41) MAOACYP11B1CYP11B2HTR1AGRM5
SCHEMBL23550090 0.80 GRM5 (0.47) MAOADYRK1AKDM4EMEN1KMT2A
SCHEMBL12016548 0.79 MEN1 (0.50) CYP2A6MAOADYRK1AKDM4EMEN1
SCHEMBL16453461 0.78 MAOB (0.45) MAOAKDM4EMEN1KMT2ACYP11B1
SCHEMBL13452125 0.78 MAPK1 (0.57) MAOADYRK1AHTR1ADRD2GRM5
SCHEMBL4937139 0.78 CYP11B1 (0.47) KDM4ECYP11B1CYP11B2HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 — — US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 — — US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 — — EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 — — EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 — — US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 — — US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 — — 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 CYP2A6 256/4885MAOA 660/4885DYRK1A 3879/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 CYP2A6 171/4885MAOA 376/4885DYRK1A 4275/4885

“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.

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