SCHEMBL428266

SCHEMBL428266

OB(O)c1ccc(CN2CCOCC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 8/20 0.56
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL15331225 0.95 CYP2A13 (0.51) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL29953357 0.85 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2554986 0.82 KDM4E (0.45) HSD17B10KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL30519205 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1GAALMNA
SCHEMBL29044212 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1GAALMNA
SCHEMBL15334180 0.80 KDM4E (0.36) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL23235219 0.80 CYP2C9 (0.62) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL30830470 0.80 CYP2C9 (0.62) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL2562320 0.80 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL12909231 0.79 CYP2A13 (0.56) CYP2A13CYP2C9ALOX15HSD17B10KDM4E

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 5 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
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO 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 CYP2A13 1677/4885CYP2C9 1007/4885ALOX15 3422/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 CYP2A13 1677/4885CYP2C9 1007/4885ALOX15 3422/4885

“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.