SCHEMBL1408522

SCHEMBL1408522

CN(C)CC#Cc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NR1H2 P55055 1/20 0.37
AR P10275 10/20 0.34
CYP2A6 P11509 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SRC P12931 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 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
SCHEMBL2977621 0.77 SLC6A2 (0.43) GAATSHRCYP2A6KDM4EMEN1
SCHEMBL1407841 0.76 ALDH1A1 (0.43) GAAPOLBARMEN1ALDH1A1
SCHEMBL1762439 0.73 GAA (0.47) GAAGLAPOLBTSHRNR1H2
SCHEMBL5501538 0.70 MAPT (0.50) GAAGLAPOLBTSHRAR
SCHEMBL31095607 0.70 MAPT (0.50) GAAGLAPOLBTSHRAR
SCHEMBL5495682 0.70 MAPT (0.50) GAAGLAPOLBTSHRAR
SCHEMBL25756955 0.70 GAA (0.37) GAAGLAPOLBTSHRNR1H2
SCHEMBL1762580 0.70 GAA (0.55) GAAGLAPOLBTSHRNR1H2
SCHEMBL110567 0.70 AR (0.56) GAAGLAPOLBTSHRAR
SCHEMBL29396844 0.70 AR (0.56) GAAGLAPOLBTSHRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 GAA 2819/4885GLA 3438/4885POLB 1988/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 GAA 2518/4885GLA 3361/4885POLB 2136/4885

“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.