SCHEMBL488745

SCHEMBL488745

O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
CTRB1 P17538 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56
KLK7 P49862 1/20 0.56
KLK5 Q9Y337 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL488744 1.00 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL6384850 1.00 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161155 0.99 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161153 0.99 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161156 0.99 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL10556342 0.97 PREP (0.65) PREPCTRB1NPSR1
SCHEMBL8750859 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750854 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750947 0.97 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL4274494 0.96 PREP (0.64) PREPCTRB1NPSR1

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 16 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
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
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP 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
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
US-6017929-A Cholinesterase activator ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0754454-A1 CHOLINESTERASE ACTIVATOR ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-22 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed
US-4550107-A Condensed diazepinones, their compositions and methods of use as pharmaceuticals DR. KARL THOMAE GMBH (DE) 1985-10-29 US disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 EP 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-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 PREP 1555/4885CTRB1 4006/4885NPSR1 4170/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 PREP 3469/4885CTRB1 4595/4885NPSR1 3095/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 PREP 3215/4885CTRB1 4423/4885NPSR1 2345/4885

“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.