SCHEMBL428237

SCHEMBL428237

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(OCCN4CCOCC4)cc3)cc1-2)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.55
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
TGFBR1 P36897 1/20 0.41
PRKAA1 Q13131 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
JAK1 P23458 1/20 0.40
LCK P06239 2/20 0.39
CHEK1 O14757 2/20 0.39
TBK1 Q9UHD2 1/20 0.39
MAP4K4 O95819 1/20 0.39
RET P07949 1/20 0.39
PHKG2 P15735 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MARK3 P27448 1/20 0.39

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
SCHEMBL429141 0.97 MAPKAPK2 (0.54) MAPKAPK2KDM1AHDAC1TGFBR1PRKAA1
SCHEMBL429124 0.88 MAPKAPK2 (0.42) MAPKAPK2KDM1AHDAC1CHEK1
SCHEMBL425424 0.87 MAPKAPK2 (0.56) MAPKAPK2PRKAA1PRKAB2PRKAG1PRKAA2
SCHEMBL431374 0.86 MAPKAPK2 (0.38) MAPKAPK2KDM1AHDAC1TGFBR1PRKAA1
SCHEMBL431557 0.85 MAPKAPK2 (0.44) MAPKAPK2KDM4EALDH1A1NPC1RAB9A
SCHEMBL429950 0.84 MAPKAPK2 (0.55) MAPKAPK2TGFBR1JAK1LCKCHEK1
SCHEMBL428236 0.84 MAPKAPK2 (0.60) MAPKAPK2KDM1AHDAC1TGFBR1PRKAA1
SCHEMBL429965 0.84 KDM4E (0.39) MAPKAPK2KDM4EALDH1A1
SCHEMBL428903 0.83 ALOX5AP (0.40) MAPKAPK2JAK1CHEK1KDM4E
SCHEMBL429080 0.83 CNR2 (0.39) 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 MAPKAPK2 480/4885KDM1A 3020/4885HDAC1 503/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM1A 3020/4885HDAC1 503/4885

“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.