SCHEMBL3833243

SCHEMBL3833243

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
IDH2 P48735 5/20 0.40
LCK P06239 4/20 0.40
FLT1 P17948 7/20 0.40
KDR P35968 5/20 0.40
TEK Q02763 5/20 0.40
CSF1R P07333 4/20 0.40
FLT4 P35916 4/20 0.40
KIT P10721 4/20 0.40
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
AURKA O14965 3/20 0.40
FGFR1 P11362 3/20 0.40
FLT3 P36888 3/20 0.40
PLK4 O00444 2/20 0.40
MAPK13 O15264 2/20 0.40
PDPK1 O15530 2/20 0.40
DAPK3 O43293 2/20 0.40
DYRK3 O43781 2/20 0.40
JAK2 O60674 2/20 0.40

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
SCHEMBL3834284 0.91 RET (0.43) RETIDH2LCKFLT1KDR
SCHEMBL3833227 0.90 RET (0.40) RETLCKFLT1KDRCSF1R
SCHEMBL3829680 0.84 RET (0.50) RETLCKFLT1KDRTEK
SCHEMBL3829906 0.83 RET (0.47) RETLCKFLT1KDRTEK
SCHEMBL3837304 0.81 TYRO3 (0.38) RETLCKKDRTEKKIT
SCHEMBL3836413 0.81 FLT1 (0.41) RETLCKFLT1KDRTEK
SCHEMBL3831528 0.81 RET (0.61) RETLCKFLT1KDRTEK
SCHEMBL3831491 0.81 KDR (0.47) RETFLT1KDRFLT4AURKA
SCHEMBL3235223 0.81 KCNH2 (0.41) RETIDH2LCKFLT1KDR
SCHEMBL3835924 0.81 BRAF (0.40) RETLCKFLT1KDRTEK

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 5 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-20070099910-A1 Pyridopyrimidinones MERCK PATENT GMBH (DE) 2007-05-03 US 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-20070099910-A1 Pyridopyrimidinones TIE1, FER, FLT1 RET 6/4885IDH2 247/4885LCK 83/4885

“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.