SCHEMBL4038388

SCHEMBL4038388

CNC(=O)c1cc(COc2nnc(Nc3ccc(OC(F)(F)F)cc3)c3ccoc23)ccn1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.77
PDGFRB P09619 1/20 0.77
FLT4 P35916 1/20 0.77
KDR P35968 1/20 0.77
ILK Q13418 1/20 0.77
MAP3K20 Q9NYL2 1/20 0.77
RAF1 P04049 4/20 0.47
EPHX2 P34913 2/20 0.47
BRAF P15056 6/20 0.47
ABL1 P00519 4/20 0.39
BCR P11274 3/20 0.39
ADORA1 P30542 1/20 0.38
DHODH Q02127 1/20 0.38
CSF1R P07333 1/20 0.37

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
SCHEMBL4035661 0.90 KDR (0.80) KITPDGFRBFLT4KDRILK
SCHEMBL2200989 0.90 KDR (0.82) KITPDGFRBFLT4KDRILK
SCHEMBL4035178 0.89 KIT (0.84) KITPDGFRBFLT4KDRILK
SCHEMBL4037825 0.89 KIT (0.86) KITPDGFRBFLT4KDRILK
SCHEMBL4037126 0.88 KIT (0.85) KITPDGFRBFLT4KDRILK
Telatinib SCHEMBL29353813 0.87 KDR (1.00) KITPDGFRBFLT4KDRILK
SCHEMBL4035689 0.87 KIT (0.84) KITPDGFRBFLT4KDRILK
Telatinib SCHEMBL1250560 0.87 KDR (1.00) KITPDGFRBFLT4KDRILK
Telatinib SCHEMBL29884336 0.87 KDR (1.00) KITPDGFRBFLT4KDRILK
SCHEMBL4037772 0.87 KDR (0.83) KITPDGFRBFLT4KDRILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 US claimed
EP-1467736-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2004-10-20 EP claimed
WO-2003059354-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO claimed
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
EP-1749011-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-29 EP disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 US disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (4 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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 KIT 44/4885PDGFRB 7/4885FLT4 2/4885
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KIT 951/4885PDGFRB 2678/4885FLT4 3215/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KIT 951/4885PDGFRB 2678/4885FLT4 3215/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 KIT 951/4885PDGFRB 2678/4885FLT4 3215/4885

“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.