SCHEMBL430271

SCHEMBL430271

CC1(C)OB(c2ccc(OCCN3CCOCC3)c(C#N)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
BRCA1 P38398 1/20 0.43
HBB P68871 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAP2K1 Q02750 2/20 0.40
SYK P43405 1/20 0.40
RAF1 P04049 1/20 0.39
SRC P12931 3/20 0.39

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
SCHEMBL22636056 0.85 ALDH1A1 (0.44) ALDH1A1MAPTHTTMEN1USP2
SCHEMBL31068420 0.84 POLB (0.51) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL17075646 0.84 KDM4E (0.48) ALDH1A1MAPTHTTPOLBTSHR
SCHEMBL722986 0.84 SYK (0.50) POLBTSHRNPC1RAB9ASYK
SCHEMBL13957871 0.84 POLB (0.44) ALDH1A1MAPTHTTMEN1USP2
SCHEMBL20912227 0.83 KMT2A (0.51) ALDH1A1MEN1USP2HPGDKMT2A
SCHEMBL14758443 0.81 TSHR (0.62) ALDH1A1MAPTHTTPOLBTSHR
SCHEMBL429976 0.79 AR (0.40) ALDH1A1HPGD
SCHEMBL2801570 0.79 KDM4E (0.45) ALDH1A1USP2POLBTSHRNPC1
SCHEMBL424879 0.79 TBK1 (0.42) ALDH1A1HPGDALOX15HSD17B10

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 11 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-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
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-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-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
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US 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 ALDH1A1 3295/4885MAPT 3072/4885HTT 4191/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 ALDH1A1 3295/4885MAPT 3072/4885HTT 4191/4885

“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.