SCHEMBL430202

SCHEMBL430202

NC(c1[nH]c2c(c1C(=O)O)CCc1cnc(N3CCc4ccccc4C3)nc1-2)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 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
SCHEMBL428547 0.87 ALDH1A1 (0.35) PTPN11ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL430503 0.79 MAP3K14 (0.31)
SCHEMBL425417 0.78 MAPKAPK2 (0.49) CYP2C19CYP1A2KDM4EALDH1A1HTT
SCHEMBL426093 0.75 MAPKAPK2 (0.47)
SCHEMBL430537 0.72 MAPKAPK2 (0.36) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL428450 0.70 MAPKAPK2 (0.52)
SCHEMBL428499 0.69 MAPKAPK2 (0.36)
SCHEMBL431102 0.69 MKNK1 (0.36) KDM4EALDH1A1NPC1HTTRAB9A
SCHEMBL431382 0.69 MAPKAPK2 (0.41)
SCHEMBL430291 0.68 MAPKAPK2 (0.38)

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 PTPN11 1412/4885CYP2C19 1390/4885CYP2C9 1007/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 PTPN11 1412/4885CYP2C19 1390/4885CYP2C9 1007/4885

“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.