SCHEMBL6706065

SCHEMBL6706065

N#Cc1cccc(CN2C=Nc3ncc(C#CCc4ccccc4)cc3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MMP13 P45452 2/20 0.37
CLPP Q16740 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
FAAH O00519 1/20 0.35
VNN1 O95497 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
DRD2 P14416 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL6288671 0.62 L3MBTL1 (0.46) ALDH1A1MMP13HCRTR1HCRTR2GRIN1
SCHEMBL6703304 0.62
SCHEMBL6701379 0.62 NSD2 (0.33) MMP13
SCHEMBL6705639 0.62 GRM5 (0.47) ALDH1A1MMP13TSHR
SCHEMBL6288453 0.60 L3MBTL1 (0.49) ALDH1A1MMP13FAAH
SCHEMBL7345248 0.60 ASIC3 (0.46) ALDH1A1MMP13CYP19A1CYP11B1CYP11B2
SCHEMBL20804353 0.60 FAAH (0.63) CYP19A1CYP11B1CYP11B2DRD4DRD3
SCHEMBL28024099 0.60 FAAH (0.63) CYP19A1CYP11B1CYP11B2DRD4DRD3
SCHEMBL3397750 0.58 CYP1A2 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2227448 0.58 HRH3 (0.60) ALDH1A1CYP19A1CYP11B1CYP11B2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US claimed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (1 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 ALDH1A1 705/4885MMP13 2/4885CLPP 3897/4885

“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.