SCHEMBL1408407

SCHEMBL1408407

CN(C)CCCN(C)c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NR1H2 P55055 1/20 0.38
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1407867 0.90 GAA (0.47) TSHRGAAGLAPOLBPDE3B
SCHEMBL15586105 0.80 CASP1 (0.36) GAAPOLBTP53MAPK1MEN1
SCHEMBL13812978 0.80 GLA (0.43) TSHRGAAGLAPOLBPDE3B
SCHEMBL2977749 0.79 LCK (0.33) PDE3BPDE3ALCKKDRTEK
SCHEMBL5111216 0.78 NR1H2 (0.47) TSHRGAAGLAPOLBNR1H2
SCHEMBL6846758 0.78 GAA (0.55) TSHRGAAGLAPOLBNR1H2
SCHEMBL13991110 0.78 NR1H2 (0.47) TSHRGAAGLAPOLBNR1H2
SCHEMBL6815802 0.78 CYP3A4 (0.40) TSHRGAACHRM2SLC6A4KCNH2
SCHEMBL1048292 0.77 LCK (0.44) TSHRGAALCKKDRTEK
SCHEMBL1408112 0.76 ALDH1A1 (0.46) GAAPOLBPDE3BPDE3ATP53

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 TSHR 2185/4885GAA 2819/4885GLA 3438/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 TSHR 2032/4885GAA 2518/4885GLA 3361/4885

“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.