SCHEMBL5957522

SCHEMBL5957522

Cc1csc2cc(=O)n(Cc3ccccc3)c(=O)n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ ATM Q13315 1/20 0.44
▸ MMP13 P45452 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ GSK3A P49840 3/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ RGS4 P49798 2/20 0.41
▸ RGS8 P57771 2/20 0.41
▸ C5AR1 P21730 1/20 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
SCHEMBL7835720 0.76 KMT2A (0.69) HPGDKMT2AMEN1ATMMAPK1
SCHEMBL7015984 0.74 MMP13 (0.47) HPGDKMT2AMEN1ATMMMP13
SCHEMBL11730687 0.72 HPGD (0.59) HPGDKMT2AMEN1ATMMAPK1
SCHEMBL5957356 0.71 MMP13 (0.50) HPGDKMT2AMEN1ATMMMP13
SCHEMBL5957357 0.70 ALDH1A1 (0.59) HPGDKMT2AMEN1MMP13MAPK1
SCHEMBL14038766 0.69 KMT2A (0.56) HPGDKMT2AMEN1ATMMAPK1
SCHEMBL5957712 0.69 MMP13 (0.61) HPGDKMT2AMEN1ATMMMP13
SCHEMBL7831973 0.68 KMT2A (0.55) HPGDKMT2AMEN1ATMMAPK1
SCHEMBL25827018 0.67 HPGD (0.57) HPGDKMT2AMEN1ATMSMN1; SMN2
SCHEMBL4392970 0.67 LMNA (0.60) HPGDKMT2AMEN1ATMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 — — US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 — — EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 — — 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 HPGD 208/4885KMT2A 3012/4885MEN1 4045/4885

“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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