Sugi Predict

Sugi Predict / Compounds / SCHEMBL3866809

SCHEMBL3866809

SCHEMBL3866809

Cc1nc2oncc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36

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
SCHEMBL4754928 0.74 KDM5A (0.49) TNKS2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3117263 0.70 PARP1 (0.50) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3866710 0.65 SMN1; SMN2 (0.44) PARP1TNKS2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4497867 0.64 ALDH1A1 (0.57) PARP1TNKS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL8278861 0.63 PARP1 (0.39) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4877959 0.63 KDM4E (0.45) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL12102096 0.62 PDE5A (0.47) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL22866706 0.62 KDM4E (0.56) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8279823 0.62 KDM4C (0.68) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2
SCHEMBL889723 0.62 CDK4 (0.55) PARP1TNKS2KDM4EALDH1A1SMN1; SMN2

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 16 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-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 — — US disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 — — US disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 — — 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
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-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 — — US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 — — 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 (6 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 PARP1 1005/4885TNKS2 2587/4885KDM4E 913/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 PARP1 452/4885TNKS2 1192/4885KDM4E 1170/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 PARP1 1490/4885TNKS2 4714/4885KDM4E 1156/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 PARP1 452/4885TNKS2 1192/4885KDM4E 1170/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS PARP1 128/4885TNKS2 331/4885KDM4E 3363/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 PARP1 349/4885TNKS2 1504/4885KDM4E 2980/4885

“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.