SCHEMBL428546

SCHEMBL428546

NC1(Cc2[nH]c3c(c2C(=O)O)CCc2cnc(N4CCCCC4)nc2-3)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
CASP1 P29466 1/20 0.32
PTPN11 Q06124 1/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
AURKA O14965 1/20 0.31
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL430502 0.82
SCHEMBL428547 0.79 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2LMNAPTPN11
SCHEMBL431326 0.78 HSP90AA1 (0.31)
SCHEMBL431601 0.76 CNR2 (0.37)
SCHEMBL425416 0.75 MAPKAPK2 (0.53) ALDH1A1LMNACCNA2CDK2CCNA1
SCHEMBL424760 0.75 MAPKAPK2 (0.54) ALDH1A1CCNA2CDK2CCNA1AURKA
SCHEMBL426092 0.74 MAPKAPK2 (0.49)
SCHEMBL429403 0.73 PLK1 (0.50) CCNA2CDK2CCNA1AURKA
SCHEMBL427818 0.73 MAPKAPK2 (0.48)
SCHEMBL430536 0.73 MAPKAPK2 (0.38) ALDH1A1SMN1; SMN2MAPT

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 ALDH1A1 3295/4885POLB 2167/4885SMN1; SMN2 3099/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885POLB 2167/4885SMN1; SMN2 3099/4885

“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.