SCHEMBL12335807

SCHEMBL12335807

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N(C)C)cc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.77
PDGFRB P09619 11/20 0.77
FGFR1 P11362 8/20 0.77
TLK2 Q86UE8 3/20 0.77
PRKAA1 Q13131 8/20 0.60
PRKAA2 P54646 7/20 0.60
FLT3 P36888 3/20 0.60
AURKB Q96GD4 3/20 0.60
MET P08581 2/20 0.60
EGFR P00533 3/20 0.57
GRK5 P34947 3/20 0.57
PLK4 O00444 2/20 0.57
DCLK1 O15075 2/20 0.57
PDPK1 O15530 2/20 0.57
DAPK3 O43293 2/20 0.57
ROCK2 O75116 2/20 0.57
RPS6KA5 O75582 2/20 0.57
RPS6KA4 O75676 2/20 0.57
MAP4K4 O95819 2/20 0.57
CHEK2 O96017 2/20 0.57

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
SCHEMBL16466791 0.91 KDR (0.80) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL16466793 0.91 KDR (0.80) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL16568048 0.90 KDR (0.79) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL16486735 0.90 KDR (0.79) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL2117954 0.87 PDGFRB (0.81) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL31672474 0.87 PDGFRB (0.81) KDRPDGFRBFGFR1TLK2PRKAA1
Toceranib SCHEMBL29354429 0.87 PDGFRB (1.00) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL13755224 0.87 PDGFRB (0.81) KDRPDGFRBFGFR1TLK2PRKAA1
Toceranib SCHEMBL2116670 0.87 PDGFRB (1.00) KDRPDGFRBFGFR1TLK2PRKAA1
SCHEMBL13755252 0.87 KDR (0.81) KDRPDGFRBFGFR1TLK2PRKAA1

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-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 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-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT KDR 4527/4885PDGFRB 3455/4885FGFR1 4629/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT KDR 4527/4885PDGFRB 3455/4885FGFR1 4629/4885

“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.