SCHEMBL4128219

SCHEMBL4128219

OCCn1ccc(-c2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.39
FYN P06241 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
BRAF P15056 4/20 0.37
MAPK14 Q16539 2/20 0.37
CSNK1D P48730 3/20 0.36
BMPR1B O00238 2/20 0.36
CIT O14578 2/20 0.36
RIPK2 O43353 2/20 0.36
STK10 O94804 2/20 0.36
MAP4K4 O95819 2/20 0.36
ABL1 P00519 2/20 0.36
RAF1 P04049 2/20 0.36
ERBB3 P21860 2/20 0.36

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
SCHEMBL9384038 0.84 KMT2A (0.55) KMT2AMAPTFYNMAPK1
SCHEMBL27332971 0.82 MAPT (0.42) DYRK1AKMT2AMAPTPIK3CDPIK3CB
SCHEMBL5017265 0.82 DYRK1A (0.41) DYRK1AKMT2AMAPTFYNPIK3CD
SCHEMBL5017267 0.82 DYRK1A (0.41) DYRK1AKMT2AMAPTFYNPIK3CD
SCHEMBL5015487 0.82 DYRK1A (0.41) DYRK1AKMT2AMAPTFYNPIK3CD
SCHEMBL20442664 0.81 SMN1; SMN2 (0.42) KMT2AMAPT
SCHEMBL5346265 0.81 KMT2A (0.56) KMT2AMAPTFYNMAPK14CSNK1D
SCHEMBL5016843 0.80 AR (0.45) KMT2AMAPTFYN
SCHEMBL27325656 0.79 MAPT (0.40) DYRK1AKMT2AMAPTPIK3CDPIK3CB
SCHEMBL5631192 0.78 DYRK1A (0.38) DYRK1AKMT2AMAPTPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
WO-2009077886-A1 MULTI-LAYERED DEVICES FOR ANALYTE DETECTION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-25 WO disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
CN-101282960-A RAF inhibitor compounds and methods GENENTECH INC (US) 2008-10-08 CN disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 WO disclosed
US-6740642-B2 ACTIVE AGAINST GRAM POSITIVE PATHOGENS SUCH AS STAPHYLOCOCCUS AUREUS, STREPTOCOCCUS PNEUMONIAE, GRAM NEGATIVE STRAINS SUCH AS HAEMOPHILUS INFLUENZAE; IMPROVED STABILITY BASILEA PARMACEUTICA AG (CH) 2004-05-25 US disclosed
US-20030199459-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2003-10-23 US disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF DYRK1A 2654/4885KMT2A 3401/4885MAPT 4407/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF DYRK1A 2654/4885KMT2A 3401/4885MAPT 4407/4885
US-20030199459-A1 Macrolides with antibacterial activity MRPL21, MRPS22, MRPL12 DYRK1A 4499/4885KMT2A 2571/4885MAPT 4858/4885

“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.