SCHEMBL429669

SCHEMBL429669

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(CN5CCCCC5)cc4)cc2-3)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.38
ACHE P22303 5/20 0.38
MAPKAPK2 P49137 5/20 0.37
TGFBR1 P36897 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
DHODH Q02127 3/20 0.36
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL428957 0.91 MAP3K11 (0.38) MAPKAPK2PARP1
SCHEMBL426534 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL428593 0.84 MAPKAPK2 (0.37) MAPKAPK2
SCHEMBL429123 0.83 MAPKAPK2 (0.46) CHEK1MAPKAPK2ALDH1A1
SCHEMBL426031 0.83 CHEK1 (0.40) CHEK1MAPKAPK2
SCHEMBL430290 0.83 MAPKAPK2 (0.37) MAPKAPK2TGFBR1
SCHEMBL431373 0.83 MAPKAPK2 (0.43) MAPKAPK2ALDH1A1
SCHEMBL429670 0.82 CHEK1 (0.36) CHEK1ACHEMAPKAPK2TGFBR1HRH3
SCHEMBL428125 0.82 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL424661 0.82 MAPKAPK2 (0.40) MAPKAPK2

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-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
CN-101687869-A Tetracyclic lactam derivatives as MK2 inhibitors NOVARTIS AG 2010-03-31 CN disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CHEK1 1814/4885ACHE 2181/4885MAPKAPK2 480/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CHEK1 1814/4885ACHE 2181/4885MAPKAPK2 480/4885

“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.