SCHEMBL4548305

SCHEMBL4548305

CC(C)c1ccc2c(ccc3[nH]ncc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.46
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
F2 P00734 1/20 0.44
C5AR1 P21730 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
KIF11 P52732 1/20 0.39
TRPA1 O75762 1/20 0.38
IDO1 P14902 1/20 0.37
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CCNA1 P78396 1/20 0.36
EIF4A3 P38919 1/20 0.36
NOS1 P29475 8/20 0.35
DYRK1A Q13627 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL84462 0.81 TRPA1 (0.54) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL14349688 0.78 IDO1 (0.42) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL84390 0.78 MAPT (0.60) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL3912740 0.76 UGT2B7 (0.45) MEN1KMT2AALDH1A1KIF11TRPA1
SCHEMBL12125845 0.74 HCAR2 (0.47) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12123553 0.74 DHPS (0.43) METAP2HCAR2KIF11TRPA1CDK2
SCHEMBL12808612 0.73 EIF4A3 (0.40) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL20350398 0.73 EIF4A3 (0.46) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL8434760 0.72 ALDH1A1 (0.51) METAP2KDM4EMEN1MAPTKMT2A
SCHEMBL13561663 0.72 KIF11 (0.47) KDM4EMEN1MAPTKMT2AALDH1A1

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-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP 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-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
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 METAP2 3506/4885KDM4E 4824/4885MEN1 2028/4885
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 METAP2 3506/4885KDM4E 4824/4885MEN1 2028/4885
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 METAP2 3555/4885KDM4E 4813/4885MEN1 1955/4885
US-20100204278-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 METAP2 3574/4885KDM4E 4832/4885MEN1 2100/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 METAP2 3202/4885KDM4E 4792/4885MEN1 3094/4885
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 METAP2 3555/4885KDM4E 4813/4885MEN1 1955/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 METAP2 3506/4885KDM4E 4824/4885MEN1 2028/4885

“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.