SCHEMBL428547

SCHEMBL428547

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(N3CCCCC3)nc1-2)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN11 Q06124 2/20 0.33
HSP90AA1 P07900 1/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
LMNA P02545 1/20 0.30
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
SCHEMBL430202 0.87 PTPN11 (0.44) ALDH1A1POLBSMN1; SMN2PTPN11LMNA
SCHEMBL430503 0.82 MAP3K14 (0.31)
SCHEMBL428546 0.79 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2PTPN11CCNA2
SCHEMBL425417 0.76 MAPKAPK2 (0.49) ALDH1A1CCNA2CDK2CCNA1LMNA
SCHEMBL424775 0.76 MAPKAPK2 (0.54) ALDH1A1CCNA2CDK2CCNA1MAPT
SCHEMBL426093 0.75 MAPKAPK2 (0.47)
SCHEMBL430537 0.74 MAPKAPK2 (0.36) ALDH1A1SMN1; SMN2MAPT
SCHEMBL430214 0.73 MAPKAPK2 (0.36)
SCHEMBL425424 0.72 MAPKAPK2 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL428482 0.72 MAPKAPK2 (0.42) CCNA2CDK2CCNA1LMNAMAPT

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.