SCHEMBL428236

SCHEMBL428236

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(OCCN5CCOCC5)cc4)cc2-3)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.60
TGFBR1 P36897 1/20 0.42
LCK P06239 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
BCHE P06276 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL429140 0.97 MAPKAPK2 (0.59) MAPKAPK2TGFBR1LCKPRKAA1PRKAB2
SCHEMBL429123 0.88 MAPKAPK2 (0.46) MAPKAPK2CHEK1KDM4EALDH1A1
SCHEMBL426474 0.87 MAPKAPK2 (0.60) MAPKAPK2TGFBR1LCKPRKAA1PRKAB2
SCHEMBL431373 0.87 MAPKAPK2 (0.43) MAPKAPK2PRKAA1PRKAB2PRKAG1PRKAA2
SCHEMBL425423 0.86 MAPKAPK2 (0.61) MAPKAPK2LCKPRKAA1PRKAB2PRKAG1
SCHEMBL429836 0.84 MAPKAPK2 (0.65) MAPKAPK2TGFBR1LCKPRKAA1PRKAB2
SCHEMBL431556 0.84 MAPKAPK2 (0.44) MAPKAPK2NPC1RAB9AKDM4EALDH1A1
SCHEMBL428237 0.84 MAPKAPK2 (0.55) MAPKAPK2TGFBR1LCKPRKAA1PRKAB2
SCHEMBL429079 0.84 MAPKAPK2 (0.41) MAPKAPK2JAK2
SCHEMBL428125 0.83 MAPKAPK2 (0.53) MAPKAPK2KDM4ECA9

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 480/4885TGFBR1 154/4885LCK 1380/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885TGFBR1 154/4885LCK 1380/4885

“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.