SCHEMBL7006506

SCHEMBL7006506

[CH]Nc1ccnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 0.57
POLB P06746 2/20 0.53
CYP2C19 P33261 5/20 0.50
CYP2C18 P33260 5/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C8 P10632 4/20 0.43
KMT2A Q03164 1/20 0.41
NTRK1 P04629 3/20 0.39
KDM4E B2RXH2 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
MDM2 Q00987 1/20 0.36
NR3C2 P08235 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
SCHEMBL11274691 0.83 CYP2C9 (0.57) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL3973316 0.82 CYP2C9 (0.56) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL3433504 0.77 CYP2C9 (0.55) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL26546935 0.77 CYP2C9 (0.51) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL15283606 0.77 CYP2C9 (0.55) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL15484596 0.74 NR3C2 (0.56) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL15834271 0.74 CYP2C9 (0.69) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL28210807 0.74 CYP2C9 (0.54) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL11093500 0.73 L3MBTL1 (0.52) CYP2C9POLBCYP2C19CYP2C18LMNA
SCHEMBL14976653 0.73 CYP2C9 (0.48) CYP2C9POLBCYP2C19CYP2C18LMNA

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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 EP disclosed
US-6548524-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-6534491-B2 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY 2003-03-18 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
US-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2002-09-19 US disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 US disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 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 (3 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-20020132826-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, OGFR CYP2C9 2737/4885POLB 1651/4885CYP2C19 3812/4885
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 CYP2C9 2077/4885POLB 971/4885CYP2C19 2131/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 CYP2C9 3020/4885POLB 1613/4885CYP2C19 3997/4885

“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.