SCHEMBL429670

SCHEMBL429670

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(CN4CCCCC4)cc3)cc1-2)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.36
ACHE P22303 5/20 0.36
ALDH1A1 P00352 1/20 0.35
TGFBR1 P36897 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
AURKA O14965 3/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
F10 P00742 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL428958 0.92 MAP3K11 (0.38) CHEK1MAPKAPK2PARP1F10HDAC3
SCHEMBL429124 0.83 MAPKAPK2 (0.42) CHEK1MAPKAPK2HDAC1
SCHEMBL429669 0.82 CHEK1 (0.38) CHEK1ACHEALDH1A1TGFBR1HRH3
SCHEMBL430291 0.82 MAPKAPK2 (0.38) TGFBR1MAPKAPK2HDAC3HDAC1HDAC2
SCHEMBL431557 0.82 MAPKAPK2 (0.44) ALDH1A1MAPKAPK2
SCHEMBL428126 0.82 MAPKAPK2 (0.54) CHEK1MAPKAPK2
SCHEMBL432019 0.82 MAPKAPK2 (0.36) MAPKAPK2
SCHEMBL424662 0.81 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL428046 0.81 CHEK1 (0.38) CHEK1MAPKAPK2
SCHEMBL429719 0.81 MAPKAPK2 (0.36) 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 3 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
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 2181/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CHEK1 1814/4885ACHE 2181/4885ALDH1A1 3295/4885

“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.