SCHEMBL3455945

SCHEMBL3455945

NC(=O)c1[nH]nc2c1CCN(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cn1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.44
FLT3 P36888 4/20 0.44
KIT P10721 3/20 0.44
LCK P06239 2/20 0.44
CSF1R P07333 2/20 0.44
LYN P07948 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
BLK P51451 2/20 0.44
ABL1 P00519 1/20 0.44
FYN P06241 1/20 0.44
SRC P12931 1/20 0.44
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
AURKB Q96GD4 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
MAPK13 O15264 1/20 0.43
PDPK1 O15530 1/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL14032032 0.78 KDM4E (0.44) KDRFLT3KITLCKNTRK1
SCHEMBL3456217 0.76 CRBN (0.39) JAK2MAP4K4MAPTKDM4EALDH1A1
SCHEMBL14031915 0.74 KDM4E (0.43) KDRFLT3ABL1NTRK1NTRK2
SCHEMBL3456547 0.72 GRIN2D (0.47) ABL1AURKAJAK2JAK3KDM4E
SCHEMBL1924032 0.67 FLT3 (0.59) KDRFLT3KITLCKCSF1R
SCHEMBL4324525 0.66 KDR (0.52) KDRFLT3KITLCKCSF1R
SCHEMBL5067941 0.65 TRPV1 (0.38) AURKARIPK1MAPTKDM4EALDH1A1
SCHEMBL1923687 0.65 CA12 (0.57) KDRFLT3KITLCKCSF1R
SCHEMBL1924313 0.65 KDR (0.60) KDRFLT3KITLCKCSF1R
SCHEMBL1662296 0.65 RAF1 (0.64) KDRLCKLYNBLKABL1

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
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
EP-1646632-A2 SUBSTITUTED TETRAHYDRO-1 I H /I -PYRAZOLO 3,4-C|PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2006-04-19 EP disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 US disclosed
WO-2005007653-A2 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2005-01-27 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS KDR 1415/4885FLT3 5/4885KIT 1524/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS KDR 1542/4885FLT3 6/4885KIT 1347/4885

“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.