SCHEMBL3032099

SCHEMBL3032099

Cc1nc(N)ccc1-c1ccc(COC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
PDGFRB P09619 3/20 0.47
FLT3 P36888 2/20 0.47
RIPK1 Q13546 2/20 0.46
CDK8 P49336 2/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
RAF1 P04049 2/20 0.43
DHODH Q02127 1/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
EGFR P00533 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL3020143 0.90 KDR (0.44) KDRPDGFRBFLT3RIPK1CDK8
SCHEMBL3026694 0.83 RIPK1 (0.58) KDRPDGFRBFLT3RIPK1CDK8
SCHEMBL3021236 0.81 MEN1 (0.46) KDRRIPK1CDK8RAF1DHODH
SCHEMBL3035122 0.80 KDR (0.57) KDRPDGFRBRIPK1CDK8ABL1
SCHEMBL1790677 0.80 BLM (0.56) KDRMEN1MAPTHTTKMT2A
SCHEMBL3031148 0.79 KDR (0.54) KDRPDGFRBABL1BCRMEN1
SCHEMBL1793439 0.78 HTT (0.52) KDRABL1BCRMEN1MAPT
SCHEMBL3031505 0.76 ROCK2 (0.62) KDRMEN1MAPTHTTKMT2A
SCHEMBL1791918 0.76 MEN1 (0.62) KDRRAF1MEN1MAPTHTT
SCHEMBL1790358 0.75 PDK1 (0.51) KDRPDGFRBFLT3RIPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 US disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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 (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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB KDR 14/4885PDGFRB 346/4885FLT3 230/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K KDR 2390/4885PDGFRB 1517/4885FLT3 621/4885

“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.