SCHEMBL488782

SCHEMBL488782

CC1(C)OC(c2cccc3[nH]ccc23)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
RHEB Q15382 5/20 0.36
PIK3CD O00329 1/20 0.36
MAPK1 P28482 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 2/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 2/20 0.33
HTR1B P28222 1/20 0.33
BCHE P06276 1/20 0.32
TRPA1 O75762 1/20 0.32
CHRNA7 P36544 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL28881481 0.78 BRD4 (0.37) BRD4KCNH2
SCHEMBL29805704 0.78 BRD4 (0.37) BRD4KCNH2
SCHEMBL8228261 0.74 IDO1 (0.50) BRD4
SCHEMBL257938 0.73 AHR (0.42) AHRNR3C1PGRBCHE
SCHEMBL17429447 0.69 HTR1A (0.51) AHRPIK3CDADRB1HTR6MAP1LC3B
SCHEMBL15499617 0.68 ATM (0.37) AHRMAPTNR3C1PGR
SCHEMBL14027792 0.67 HTR1A (0.47) AHRADRB1HTR6MAP1LC3BHTR1A
SCHEMBL12347459 0.67 ADRB1 (0.47) AHRPIK3CDADRB1HTR6GAA
SCHEMBL29374726 0.67 AHR (0.42) AHRRHEBPIK3CDMAPK1ADRB1
SCHEMBL476853 0.67 AHR (0.42) AHRRHEBPIK3CDMAPK1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
CN-103265477-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC 2013-08-28 CN disclosed
EP-1603570-B1 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-01-23 EP disclosed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 US disclosed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
CN-1777427-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC (US) 2006-05-24 CN disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 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 (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-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 AHR 341/4885RHEB 1834/4885PIK3CD 648/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 AHR 2108/4885RHEB 832/4885PIK3CD 407/4885

“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.