SCHEMBL430290

SCHEMBL430290

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(-c4ccc(N5CCNCC5)cc4)cc2-3)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.37
RIPK2 O43353 1/20 0.37
NOD2 Q9HC29 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ACVR1 Q04771 3/20 0.35
TGFBR1 P36897 1/20 0.35
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
P2RY14 Q15391 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 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
SCHEMBL426031 0.92 CHEK1 (0.40) MAPKAPK2HDAC1
SCHEMBL431373 0.92 MAPKAPK2 (0.43) MAPKAPK2HDAC1
SCHEMBL426029 0.87 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL429911 0.84 MAPKAPK2 (0.38) MAPKAPK2
SCHEMBL3758513 0.84 MAPKAPK2 (0.42) MAPKAPK2RIPK2NOD2HDAC3HDAC1
SCHEMBL426539 0.84 ATR (0.40) MAPKAPK2HDAC1CDK4CCNA2CDK2
SCHEMBL429079 0.84 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL431601 0.83 CNR2 (0.37) MAPKAPK2
SCHEMBL428125 0.83 MAPKAPK2 (0.53) MAPKAPK2
SCHEMBL429669 0.83 CHEK1 (0.38) MAPKAPK2TGFBR1

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 480/4885RIPK2 436/4885NOD2 1392/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPKAPK2 480/4885RIPK2 436/4885NOD2 1392/4885

“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.