SCHEMBL4548295

SCHEMBL4548295

CC(C)c1n[nH]c2c1ncc1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GPR3 P46089 1/20 0.37
PIM1 P11309 4/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.34
PRKCI P41743 1/20 0.34
PDE4B Q07343 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
PIM3 Q86V86 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CAPN1 P07384 1/20 0.33
TSHR P16473 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA1A P35348 2/20 0.31

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
SCHEMBL695574 0.76 KDM4E (0.44) KDM4EGPR3PIM1ALDH1A1HSD17B10
SCHEMBL8465042 0.76 KDM4E (0.40) KDM4EGPR3PIM1ALDH1A1HSD17B10
SCHEMBL4548302 0.76 KIF11 (0.41) KDM4EALDH1A1HSD17B10MAPK1TDP1
SCHEMBL4548298 0.70 GABRA1 (0.38) KDM4EGPR3PDE4BGABRPGABRD
SCHEMBL13171265 0.69 KDM4E (0.44) KDM4EGPR3ALDH1A1HSD17B10MAPK1
SCHEMBL22017356 0.69 CYP2A6 (0.44) KDM4EGPR3ALDH1A1HSD17B10MAPK1
SCHEMBL15042933 0.69 CCR1 (0.32)
SCHEMBL2488607 0.67 KDM4E (0.58) KDM4EGPR3PIM1ALDH1A1HSD17B10
SCHEMBL14359645 0.66 GCGR (0.42) KDM4EGPR3ALDH1A1TDP1CYP1A2
SCHEMBL14506263 0.66 KDM4E (0.40) KDM4EGPR3ALDH1A1HSD17B10MAPK1

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
US-8455520-B2 Soluble epoxide hydrolase inhibitors, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-07-02 US disclosed
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 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-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS KDM4E 3299/4885GPR3 1287/4885PIM1 4735/4885
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 KDM4E 4824/4885GPR3 158/4885PIM1 4784/4885
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 KDM4E 4824/4885GPR3 158/4885PIM1 4784/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 KDM4E 4813/4885GPR3 162/4885PIM1 4827/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 KDM4E 4832/4885GPR3 159/4885PIM1 4805/4885
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 KDM4E 4813/4885GPR3 162/4885PIM1 4827/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 KDM4E 4824/4885GPR3 158/4885PIM1 4784/4885

“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.