SCHEMBL3025530

SCHEMBL3025530

Nc1ncccc1-c1cccc(COC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.54
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KDR P35968 5/20 0.49
GRM4 Q14833 1/20 0.48
BRAF P15056 1/20 0.47
PDGFRB P09619 1/20 0.46
EIF2AK2 P19525 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CDK8 P49336 3/20 0.44
MGLL Q99685 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3026694 0.91 RIPK1 (0.58) RIPK1MEN1HTTKMT2AALDH1A1
SCHEMBL3031349 0.88 KDR (0.51) RIPK1MEN1HTTKMT2AALDH1A1
SCHEMBL1792391 0.85 RIPK1 (0.61) RIPK1KDRGRM4BRAFPDGFRB
SCHEMBL3020143 0.84 KDR (0.44) RIPK1MEN1HTTKMT2AALDH1A1
SCHEMBL1791921 0.83 MEN1 (0.64) MEN1HTTKMT2AALDH1A1LMNA
SCHEMBL1793208 0.83 MGLL (0.56) MEN1HTTKMT2AALDH1A1LMNA
SCHEMBL3021236 0.82 MEN1 (0.46) RIPK1MEN1HTTKMT2AALDH1A1
SCHEMBL3034949 0.81 MEN1 (0.51) MEN1HTTKMT2AALDH1A1LMNA
SCHEMBL1788746 0.81 MEN1 (0.56) MEN1HTTKMT2AALDH1A1LMNA
SCHEMBL1790685 0.81 MEN1 (0.54) MEN1HTTKMT2AALDH1A1LMNA

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 RIPK1 130/4885MEN1 3232/4885HTT 4404/4885
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RIPK1 548/4885MEN1 1561/4885HTT 4200/4885

“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.