SCHEMBL3833005

SCHEMBL3833005

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.57
FLT1 P17948 8/20 0.49
TEK Q02763 7/20 0.49
RET P07949 3/20 0.46
KDR P35968 10/20 0.44
KIT P10721 4/20 0.43
AURKA O14965 4/20 0.43
FLT4 P35916 3/20 0.43
GSK3B P49841 3/20 0.43
AURKB Q96GD4 3/20 0.43
DYRK3 O43781 2/20 0.43
ROCK2 O75116 2/20 0.43
MAP4K4 O95819 2/20 0.43
CHEK2 O96017 2/20 0.43
NTRK1 P04629 2/20 0.43
LCK P06239 2/20 0.43
CDK1 P06493 2/20 0.43
LYN P07948 2/20 0.43
ROS1 P08922 2/20 0.43
FGFR1 P11362 2/20 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
SCHEMBL3833228 0.90 TEK (0.49) RIPK1FLT1TEKRETKDR
SCHEMBL3835826 0.89 KDR (0.51) RIPK1FLT1TEKRETKDR
SCHEMBL3834274 0.88 KDR (0.57) RIPK1FLT1TEKRETKDR
SCHEMBL3836431 0.88 TEK (0.47) RIPK1FLT1TEKRETKDR
SCHEMBL3831528 0.85 RET (0.61) RIPK1FLT1TEKRETKDR
SCHEMBL3834263 0.85 RIPK1 (0.56) RIPK1FLT1TEKRETKDR
SCHEMBL3236450 0.84 RET (0.44) RIPK1FLT1TEKRETKDR
SCHEMBL3239163 0.83 CSF1R (0.41) RIPK1FLT1TEKRETKDR
SCHEMBL3238527 0.83 RET (0.46) RIPK1FLT1TEKRETKDR
SCHEMBL3830022 0.83 RIPK1 (0.56) RIPK1KDRKITNTRK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682548-B1 PYRIDOPYRIMIDINONES FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2009-09-23 EP claimed
US-7547695-B2 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2009-06-16 US claimed
US-20070099910-A1 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2007-05-03 US claimed
US-7547695-B2 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2009-06-16 US disclosed
US-20070203085-A1 Methods For Interfering With Fibrosis MERCK PATENT GMBH (DE) 2007-08-30 US disclosed
US-20070191326-A1 Methods for modulating glutamate receptors for treating neuropsychiatric disorders comprising the use of modulators of serum and glucocorticoid inducible kinases MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
CN-1964705-A Methods for interfering with fibrosis MERCK PATENT GMBH (DE) 2007-05-16 CN disclosed
US-20070099910-A1 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2007-05-03 US disclosed
CN-1929846-A Methods for treating neuropsychiatric disorders comprising modulating glutamate receptors with modulators of serum and glucocorticoid inducible kinases MERCK PATENT GMBH (DE) 2007-03-14 CN disclosed
CN-1929831-A Methods for altering insulin secretion MERCK PATENT GMBH (DE) 2007-03-14 CN 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-20070203085-A1 Methods For Interfering With Fibrosis MMP1, SERPINA6, HDGF RIPK1 1761/4885FLT1 2905/4885TEK 1272/4885
US-20070099910-A1 Pyridopyrimidinones TIE1, FER, FLT1 RIPK1 273/4885FLT1 3/4885TEK 9/4885
US-20070191326-A1 Methods for modulating glutamate receptors for treating neuropsychiatric disorders comprising the use of modulators of serum and glucocorticoid inducible kinases GRIK2, GRIK1, GRM2 RIPK1 207/4885FLT1 4570/4885TEK 3851/4885

“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.