SCHEMBL429950

SCHEMBL429950

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(-c3ccc(OCCN4CCOCC4)cc3)nc1-2)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.55
TBK1 Q9UHD2 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
LCK P06239 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TNK2 Q07912 1/20 0.37
JAK1 P23458 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHEK1 O14757 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL425424 0.97 MAPKAPK2 (0.56) MAPKAPK2TBK1HRH3LCKKDM4E
SCHEMBL429141 0.87 MAPKAPK2 (0.54) MAPKAPK2TBK1HRH3LCKKDM4E
SCHEMBL428237 0.84 MAPKAPK2 (0.55) MAPKAPK2TBK1HRH3LCKKDM4E
SCHEMBL429949 0.82 MAPKAPK2 (0.59) MAPKAPK2TBK1HRH3LCKKDM4E
SCHEMBL425423 0.82 MAPKAPK2 (0.61) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL431106 0.80 MAPKAPK2 (0.67) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL424775 0.80 MAPKAPK2 (0.54) MAPKAPK2KDM4EALDH1A1GAA
SCHEMBL426725 0.79 MAPKAPK2 (0.66) MAPKAPK2TBK1LCKKDM4EALDH1A1
SCHEMBL427819 0.77 MAPKAPK2 (0.46) MAPKAPK2
SCHEMBL430214 0.77 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 MAPKAPK2 480/4885TBK1 1381/4885HRH3 2320/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885TBK1 1381/4885HRH3 2320/4885

“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.