SCHEMBL3668971

SCHEMBL3668971

CC(C)(C)c1ccc(Nc2ncc(Cc3ccncc3)c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.66
FLT1 P17948 15/20 0.66
PDGFRB P09619 8/20 0.66
KIT P10721 7/20 0.66
CSF1R P07333 2/20 0.46
FLT4 P35916 2/20 0.46
CIT O14578 1/20 0.46
EGFR P00533 1/20 0.46
HLA-A P04439 1/20 0.46
RET P07949 1/20 0.46
PDGFRA P16234 1/20 0.46
RPS6KB1 P23443 1/20 0.46
FRK P42685 1/20 0.46
CDK8 P49336 1/20 0.46
DDR1 Q08345 1/20 0.46
STK3 Q13188 1/20 0.46
PTK6 Q13882 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46

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
SCHEMBL13955485 0.89 FLT1 (0.52) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955418 0.88 KDR (0.52) KDRFLT1PDGFRBKITALDH1A1
SCHEMBL13955411 0.85 KDR (0.48) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955494 0.85 FLT1 (0.50) KDRFLT1PDGFRBKITCSF1R
SCHEMBL2201541 0.84 FLT1 (0.64) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955486 0.84 FLT1 (0.64) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955592 0.83 CYP1A2 (0.46) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955571 0.83 KDR (0.48) KDRFLT1PDGFRBKITCSF1R
SCHEMBL13955585 0.83 KDR (0.55) KDRFLT1PDGFRBKITHTT
SCHEMBL13955419 0.83 KDR (0.48) KDRFLT1PDGFRBKITALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US claimed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US claimed
US-20090156602-A1 Organic Compounds COOKE NIGEL GRAHAM 2009-06-18 US claimed
US-20080207658-A1 Pharmaceutical Combination of Bcr-Abl and Raf Inhibitors MANLEY PAUL W 2008-08-28 US claimed
EP-1885352-A2 COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS Novartis AG (US) 2008-02-13 EP claimed
EP-1863491-A1 PHARMACEUTICAL COMBINATION OF BCR-ABL AND RAF INHIBITORS Novartis AG (CH) 2007-12-12 EP claimed
WO-2006089781-A1 PHARMACEUTICAL COMBINATION OF BCR-ABL AND RAF INHIBITORS NOVARTIS AG (CH) 2006-08-31 WO claimed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 WO claimed
US-6608071-B2 Angiogenesis inhibitors as antitumor agents NOVARTIS AG (CH) 2003-08-19 US claimed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2011-12-08 US disclosed
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR NOVARTIS AG (CH) 2011-12-08 US disclosed
CN-101080227-B Combinations of therapeutic agents for treating cancer NOVARTIS AG 2011-08-31 CN disclosed
US-20100280003-A1 COMBINATIONS OF JAK INHIBITORS COOKE NIGEL GRAHAM 2010-11-04 US disclosed
WO-2006089781-A1 PHARMACEUTICAL COMBINATION OF BCR-ABL AND RAF INHIBITORS NOVARTIS AG (CH) 2006-08-31 WO disclosed
WO-2006056399-A2 COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-01 WO disclosed
EP-1603566-A1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES Novartis AG (CH) 2005-12-14 EP disclosed
WO-2005005990-A2 INVERSE LABELING METHOD FOR THE RAPID IDENTIFICATION OF MARKER TARGET PROTEINS NOVARTIS AG (CH) 2005-01-20 WO disclosed
WO-2004080464-A1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2004-09-23 WO disclosed
US-20040106150-A1 Inverse labeling method for the rapid identification of marker/target proteins WANG YINGQI KAREN (US) 2004-06-03 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 (5 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-20100280003-A1 COMBINATIONS OF JAK INHIBITORS JAK2, JAK3, JAK1 KDR 123/4885FLT1 26/4885PDGFRB 40/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 KDR 123/4885FLT1 26/4885PDGFRB 40/4885
US-20080207658-A1 Pharmaceutical Combination of Bcr-Abl and Raf Inhibitors BRAF, BCR, ABL1 KDR 214/4885FLT1 237/4885PDGFRB 44/4885
US-20090156602-A1 Organic Compounds BTK, JAK2, JAK3 KDR 74/4885FLT1 25/4885PDGFRB 67/4885
US-20110301184-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A MTOR INHIBITOR AND A RAF KINASE INHIBITOR BRAF, RAF1, MTOR KDR 539/4885FLT1 812/4885PDGFRB 1146/4885

“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.