SCHEMBL3868951

SCHEMBL3868951

Nc1cc(CNc2ccccc2C(=O)Nc2ccc3[nH]ncc3c2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.66
JAK1 P23458 5/20 0.66
KIT P10721 4/20 0.62
BRAF P15056 4/20 0.62
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
JAK3 P52333 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
KDR P35968 3/20 0.52
FLT1 P17948 2/20 0.52
MAOB P27338 1/20 0.52
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL3869371 0.89 JAK2 (0.66) JAK2JAK1KITBRAFNPC1
SCHEMBL6543933 0.88 JAK2 (0.64) JAK2JAK1KITBRAFNPC1
SCHEMBL5857039 0.87 JAK2 (0.72) JAK2JAK1KITBRAFNPC1
SCHEMBL6624730 0.85 JAK2 (0.61) JAK2JAK1KITBRAFNPC1
SCHEMBL6543870 0.81 KIT (0.63) JAK2JAK1KITBRAFNPC1
SCHEMBL3876110 0.81 NPC1 (0.56) JAK2JAK1KITBRAFNPC1
SCHEMBL4034467 0.80 NPC1 (0.55) JAK2JAK1KITBRAFNPC1
SCHEMBL3868747 0.80 KIT (0.60) KITBRAFKDRFLT1
SCHEMBL4042755 0.79 NPC1 (0.52) JAK2JAK1KITBRAFNPC1
SCHEMBL4034472 0.78 NPC1 (0.52) JAK2JAK1KITBRAFNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615565-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-7615565-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-7615565-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-7517894-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AG (DE) 2009-04-14 US disclosed
US-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-7148357-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines SCHERING AG (DE) 2006-12-12 US disclosed
CN-1671666-A VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridine compounds SCHERING AG (DE) 2005-09-21 CN disclosed
US-20050054654-A1 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-03-10 US disclosed
US-20040147535-A1 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-07-29 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 (3 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-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents FLT4, KDR, FLT1 JAK2 90/4885JAK1 446/4885KIT 80/4885
US-20040147535-A1 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines FLT4, KDR, FLT1 JAK2 72/4885JAK1 194/4885KIT 28/4885
US-20050054654-A1 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines FLT4, KDR, FLT1 JAK2 74/4885JAK1 197/4885KIT 28/4885

“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.