SCHEMBL16615202

SCHEMBL16615202

O=C(NCCc1ccccc1)c1cc2c(nn1)NCCN2Cc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FER P16591 1/20 0.38
FGFR3 P22607 1/20 0.38
LTK P29376 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 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
SCHEMBL20859464 0.92 MAPT (0.41) MAPTTP53SMN1; SMN2PLK4JAK2
SCHEMBL16615259 0.86 GAA (0.41) MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL16615153 0.79 PLK4 (0.41) MAPTTP53SMN1; SMN2PLK4JAK2
SCHEMBL17969782 0.79 NAMPT (0.37) TP53SMN1; SMN2PLK4JAK2PRKD3
SCHEMBL16615212 0.77 MET (0.45) MAPTPLK4JAK2PRKD3MAP4K4
SCHEMBL16615282 0.77 NTRK1 (0.44) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL16615221 0.77 L3MBTL1 (0.40) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL16615321 0.76 ALK (0.48) MAPTPLK4JAK2PRKD3MAP4K4
SCHEMBL18106085 0.76 MET (0.54) PLK4JAK2PRKD3MAP4K4ABL1
SCHEMBL17918849 0.76 MET (0.43) MAPTSMN1; SMN2METFLT3MAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
EP-3050884-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES Limited Liability Company "National Pharmaceutical (RU) 2016-08-03 EP disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 US disclosed
WO-2015047133-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" 2015-04-02 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 (1 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-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 MAPT 2274/4885TP53 79/4885SMN1; SMN2 3750/4885

“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.