SCHEMBL14281548

SCHEMBL14281548

Cc1nc2c[nH]nc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ ADORA3 P0DMS8 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TYMS P04818 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL19236511 0.77 MITF (0.47) KDM4ELMNAHSD17B10ALDH1A1GLA
SCHEMBL7379913 0.77 TNKS2 (0.50) PARP1TNKS2ADORA3KDM4ENPC1
SCHEMBL22118823 0.73 KDM4E (0.42) TNKS2ADORA3KDM4ELMNAHSD17B10
SCHEMBL7420122 0.72 CACNA1H (0.37) PARP1TNKS2ADORA3KDM4ELMNA
SCHEMBL5799688 0.70 TNKS (0.58) PARP1TNKS2ADORA3HSD17B10NPC1
SCHEMBL7422513 0.70 ADORA3 (0.33) TNKS2ADORA3KDM4EGAA
SCHEMBL7417530 0.70 ROCK2 (0.34) PARP1LMNAGLAGAAMAPT
SCHEMBL8278866 0.69 PARP1 (0.46) PARP1TNKS2ADORA3KDM4ELMNA
SCHEMBL12912283 0.69 PARP1 (0.50) PARP1TNKS2ADORA3KDM4ELMNA
SCHEMBL22118927 0.69 ADORA3 (0.33) TNKS2ADORA3KDM4ENPC1GAA

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 6 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-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
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

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 PARP1 1005/4885TNKS2 2587/4885ADORA3 633/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 PARP1 1490/4885TNKS2 4714/4885ADORA3 641/4885

“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.

Send feedback