SCHEMBL666092

SCHEMBL666092

CC(C)(C)N(C(=O)O)c1cccc(CN)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.43
ENPP2 Q13822 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CFD P00746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK14 Q16539 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL2120249 0.86 PDK1 (0.43) ENPP2CRHBPCRHR2CYP2C19CYP2C9
SCHEMBL18262241 0.84 CRHBP (0.40) CRHBPCRHR2CYP1A2CYP2C19CYP2C9
SCHEMBL2115382 0.84 CRHBP (0.43) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL9900076 0.84 KLKB1 (0.41) LOXL2ENPP2CRHBPCRHR2CFD
SCHEMBL1023435 0.83 KDM4E (0.42) LOXL2CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL1026817 0.83 CYP4F2 (0.44) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL1026191 0.82 MAOA (0.50) CRHBPCRHR2KMT2AL3MBTL1MEN1
SCHEMBL16107553 0.81 ENPP2 (0.42) ENPP2CRHBPCRHR2KMT2AL3MBTL1
SCHEMBL20204196 0.80 ANPEP (0.41) CRHBPCRHR2NOS1NOS2NOS3
SCHEMBL20204194 0.80 ANPEP (0.41) CRHBPCRHR2NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
WO-2011079274-A1 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2011-06-30 WO disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 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 (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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B LOXL2 3076/4885ENPP2 3211/4885CRHBP 4758/4885
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK LOXL2 3613/4885ENPP2 442/4885CRHBP 4847/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC LOXL2 3660/4885ENPP2 779/4885CRHBP 3961/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 LOXL2 3415/4885ENPP2 4504/4885CRHBP 3219/4885

“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.