SCHEMBL10162571

SCHEMBL10162571

CCc1cccc(-c2ncccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
CLK4 Q9HAZ1 2/20 0.52
DYRK1A Q13627 1/20 0.52
NISCH Q9Y2I1 1/20 0.51
BCL2 P10415 1/20 0.50
ADRB2 P07550 1/20 0.47
NOTUM Q6P988 1/20 0.45
LRRK2 Q5S007 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
TGFBR1 P36897 1/20 0.42
PTGS2 P35354 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CYP2A6 P11509 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
PRMT6 Q96LA8 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL27033881 0.81 NOS3 (0.50) IDO1CLK4DYRK1ANISCHBCL2
SCHEMBL5547358 0.80 BCL2 (0.62) IDO1NISCHBCL2NOTUMPTGS2
SCHEMBL29489424 0.80 BCL2 (0.62) IDO1NISCHBCL2NOTUMPTGS2
SCHEMBL112429 0.80 ADRB2 (0.68) CLK4DYRK1AADRB2NOS3NOS1
SCHEMBL20738473 0.80 CLK4 (0.47) CLK4DYRK1AADRB2CYP2A6HCRTR1
SCHEMBL2021727 0.80 CLK4 (0.47) CLK4DYRK1AADRB2CYP2A6HCRTR1
SCHEMBL2130914 0.80 PRKCI (0.61) CLK4DYRK1AADRB2HCRTR1HCRTR2
SCHEMBL6848165 0.80 CLK4 (0.47) CLK4DYRK1AADRB2CYP2A6HCRTR1
SCHEMBL29676764 0.80 ADRB2 (0.68) CLK4DYRK1AADRB2NOS3NOS1
SCHEMBL27706843 0.80 CLK4 (0.47) CLK4DYRK1AADRB2CYP2A6HCRTR1

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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
CN-103772291-A Aniline-containing organic semiconductor material and preparation method therefor and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-05-07 CN disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 IDO1 359/4885CLK4 1840/4885DYRK1A 2604/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDO1 359/4885CLK4 1840/4885DYRK1A 2604/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDO1 359/4885CLK4 1840/4885DYRK1A 2604/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 IDO1 1381/4885CLK4 2418/4885DYRK1A 4524/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 IDO1 635/4885CLK4 4011/4885DYRK1A 2997/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 IDO1 1841/4885CLK4 2822/4885DYRK1A 4562/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDO1 359/4885CLK4 1840/4885DYRK1A 2604/4885

“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.