SCHEMBL426972

SCHEMBL426972

N#Cc1cc(Br)ccc1N1CCC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.53
CHEK1 O14757 2/20 0.45
DRD4 P21917 2/20 0.40
CHUK O15111 1/20 0.40
TBK1 Q9UHD2 4/20 0.39
JAK2 O60674 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL3745959 0.91 AR (0.46) ARCHEK1DRD4KDM4EALDH1A1
SCHEMBL28402999 0.90 AR (0.56) ARCHEK1CHUKTBK1JAK2
SCHEMBL18348151 0.84 DRD4 (0.41) ARCHEK1DRD4TBK1JAK2
SCHEMBL1514235 0.84 DPP4 (0.40) ARDRD4NOS3NOS1NOS2
SCHEMBL18348329 0.84 DRD4 (0.41) ARCHEK1DRD4TBK1JAK2
SCHEMBL18348286 0.84 DRD4 (0.41) ARCHEK1DRD4TBK1JAK2
SCHEMBL12835675 0.84 DPP4 (0.40) ARDRD4NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL1514498 0.82 DPP4 (0.39) ARDRD4NOS3NOS1NOS2
SCHEMBL23702749 0.79 AR (0.50) ARTBK1JAK2KDM4EALDH1A1
SCHEMBL26620525 0.79 AR (0.50) ARTBK1JAK2KDM4EALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970235-B1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2019-06-19 EP disclosed
US-9512115-B2 Inhibitors PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512115-B2 Inhibitors PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-20160031869-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-04 US disclosed
US-20160031869-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-04 US disclosed
WO-2014140279-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2014-09-18 WO 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-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 (3 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-20160031869-A1 NOVEL INHIBITORS GLS, GLUL, QPCT AR 4485/4885CHEK1 2098/4885DRD4 4723/4885
US-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 AR 2023/4885CHEK1 1814/4885DRD4 3010/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 AR 2023/4885CHEK1 1814/4885DRD4 3010/4885

“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.