SCHEMBL1160765

SCHEMBL1160765

Nc1ccc(NC(=O)CC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 3/20 0.63
EPHX2 P34913 3/20 0.58
NAMPT P43490 3/20 0.56
IDO1 P14902 1/20 0.55
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.49
EPHX1 P07099 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL3709185 0.93 RAB9A (0.73) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL7401491 0.84 KMT2A (0.87) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL3332768 0.82 KMT2A (0.63) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL7008242 0.82 IDO1 (0.76) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL17244556 0.82 POLB (0.63) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL11208728 0.81 EPHX2 (0.83) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL12545832 0.81 L3MBTL1 (0.65) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL7901196 0.79 RAB9A (0.59) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL3453739 0.78 EPHX2 (0.71) RAB9AKMT2ANPC1EPHX2NAMPT
SCHEMBL17729122 0.77 RAB9A (0.56) RAB9AKMT2ANPC1EPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
CN-101610767-B Combination therapy of substituted oxazolidinones BAYER SCHERING PHARMA AG 2013-03-13 CN disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
CN-102573994-A Novel bicyclic urea compounds MERCK PATENT GMBH 2012-07-11 CN disclosed
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
CN-100577162-C The oxazolidinones that is used for the replacement of therapeutic alliance BAYER HEALTHCARE AG 2010-01-06 CN disclosed
CN-101610767-A The combination treatment of the oxazolidinones that is substituted BAYER HEALTHCARE AG (DE) 2009-12-23 CN disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
CN-101325957-A Microangiopathy treatment and prevention BAYER HEALTHCARE AG (DE) 2008-12-17 CN disclosed
CN-101321533-A Combination therapy with substituted * oxazolidinones for the prevention and treatment of cerebral blood flow disorders BAYER HEALTHCARE AG (DE) 2008-12-10 CN disclosed
CN-1523986-A Substituted oxazolidinones for combinational therapy �����ɷ� 2004-08-25 CN 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 RAB9A 1974/4885KMT2A 708/4885NPC1 1489/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 RAB9A 1390/4885KMT2A 2055/4885NPC1 3403/4885

“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.