SCHEMBL2512919

SCHEMBL2512919

CN(C)C=C1C(=O)Nc2cccc(I)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PDPK1 O15530 2/20 0.43
KDR P35968 1/20 0.43
TGM2 P21980 3/20 0.41
LMNA P02545 3/20 0.40
RET P07949 2/20 0.40
FLT3 P36888 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
APP P05067 2/20 0.38
PDGFRB P09619 2/20 0.38
MAPK1 P28482 2/20 0.38
SNCA P37840 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL12200893 1.00 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTNPSR1PDPK1
SCHEMBL13244119 0.83 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTNPSR1PDPK1
SCHEMBL10399592 0.81 TGM2 (0.62) SMN1; SMN2ALDH1A1MAPTNPSR1TGM2
SCHEMBL10399594 0.81 TGM2 (0.62) SMN1; SMN2ALDH1A1MAPTNPSR1TGM2
SCHEMBL7795435 0.75 TDP2 (0.53) PDPK1KDRTGM2RETFLT3
SCHEMBL397664 0.75 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTNPSR1KDR
SCHEMBL397665 0.75 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTNPSR1KDR
SCHEMBL11892099 0.75 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTNPSR1KDR
SCHEMBL6967576 0.73 PDPK1 (0.72) PDPK1KDRRETFLT3PDGFRB
SCHEMBL6967581 0.73 PDPK1 (0.72) PDPK1KDRRETFLT3PDGFRB

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-8748601-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-10 US disclosed
US-8034821-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-11 US disclosed
US-20100256171-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-07 US disclosed
US-7687506-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 US disclosed
US-20090221614-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (CA) 2009-09-03 US disclosed
US-20070082884-A1 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-12 US disclosed
WO-2005000197-A2 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-06 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 (3 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-20070082884-A1 Selective serine/threonine kinase inhibitors DSTYK, TTK, SBK1 SMN1; SMN2 4647/4885ALDH1A1 3691/4885MAPT 3086/4885
US-20090221614-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS DSTYK, TTK, SBK1 SMN1; SMN2 4647/4885ALDH1A1 3691/4885MAPT 3086/4885
US-20100256171-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS DSTYK, TTK, SBK1 SMN1; SMN2 4647/4885ALDH1A1 3691/4885MAPT 3086/4885

“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.