SCHEMBL885034

SCHEMBL885034

COc1cccc2c1CCCC(=O)N2C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
AADAT Q8N5Z0 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MTNR1A P48039 2/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL751029 0.82 AADAT (0.47) NOTUMAADATMAPTDRD2DRD3
SCHEMBL884871 0.82 NOTUM (0.47) NOTUMHDAC1HDAC6DRD2DRD3
SCHEMBL12043682 0.81 NOTUM (0.46) NOTUMAADATMAPTHDAC1HDAC6
SCHEMBL886245 0.80 SIGMAR1 (0.48) NOTUMHDAC1HDAC6DRD2DRD3
SCHEMBL14867320 0.80 NOTUM (0.46) NOTUMAADATMAPTHTR2CHTR2B
SCHEMBL10843358 0.78 NOTUM (0.46) NOTUMAADATDRD2DRD3
SCHEMBL26618698 0.76 NOTUM (0.53) NOTUMHDAC1HDAC6HTR2CHTR2B
Bromide SCHEMBL30053252 0.73 DRD2 (0.46) NOTUMAADATMAPTDRD2DRD3
SCHEMBL2061357 0.73 ALDH1A1 (0.38) MAPTHTR2CHTR2B
SCHEMBL2061284 0.73 POLB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 US disclosed
US-7279573-B2 Amide derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2007-10-09 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 (4 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 NOTUM 2781/4885AADAT 1573/4885MAPT 1763/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET NOTUM 3940/4885AADAT 1903/4885MAPT 3881/4885
US-20080027038-A1 N-Acylated lipophilic amino acid derivatives GHRHR, NPPA, SSTR5 NOTUM 738/4885AADAT 71/4885MAPT 3801/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NOTUM 3940/4885AADAT 1903/4885MAPT 3881/4885

“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.