Sugi Predict

Sugi Predict / Compounds / SCHEMBL428755

SCHEMBL428755

SCHEMBL428755

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc5c(c4)OCCO5)cc2-3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 13/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALPL P05186 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL428413 0.84 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL424661 0.84 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431584 0.84 MAPKAPK2 (0.43) MAPKAPK2KDM4EALPLDYRK1ACHEK1
SCHEMBL432018 0.83 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL431373 0.83 MAPKAPK2 (0.43) MAPKAPK2KDM4EALDH1A1MAPTPRKAB2
SCHEMBL428125 0.82 MAPKAPK2 (0.53) MAPKAPK2KDM4EALPLDYRK1A
SCHEMBL426624 0.82 MAPKAPK2 (0.42) MAPKAPK2MAPT
SCHEMBL431381 0.82 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL428916 0.82 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL431508 0.82 MAPKAPK2 (0.42) MAPKAPK2PRKAG1PRKAA1PRKAB1

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 MAPKAPK2 480/4885KDM4E 1966/4885ALPL 2689/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885KDM4E 1966/4885ALPL 2689/4885

“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.