SCHEMBL299515

SCHEMBL299515

O=C(O)CCc1cnc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
FGFR1 P11362 1/20 0.56
CDK8 P49336 11/20 0.46
AXL P30530 2/20 0.46
P4HTM Q9NXG6 1/20 0.46
RIPK1 Q13546 2/20 0.46
ABL1 P00519 1/20 0.46
FLT3 P36888 2/20 0.45
MAP4K4 O95819 2/20 0.45
CHEK2 O96017 2/20 0.45
CDK1 P06493 2/20 0.45
FES P07332 2/20 0.45
ROS1 P08922 2/20 0.45
FER P16591 2/20 0.45
FLT4 P35916 2/20 0.45
IRAK1 P51617 2/20 0.45
ROCK1 Q13464 2/20 0.45
PKN2 Q16513 2/20 0.45
MARK2 Q7KZI7 2/20 0.45
MINK1 Q8N4C8 2/20 0.45

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
SCHEMBL297807 0.84 KDR (0.63) KDRFGFR1CDK8RIPK1ABL1
SCHEMBL1873717 0.82 KDR (0.53) KDRFGFR1CDK8AXLRIPK1
SCHEMBL298631 0.81 KDR (0.52) KDRFGFR1CDK8AXLRIPK1
SCHEMBL4562744 0.81 CDK8 (0.65) KDRFGFR1CDK8AXLRIPK1
SCHEMBL298329 0.80 NPC1 (0.49) KDRFGFR1FLT3MAP4K4ROS1
SCHEMBL29590039 0.78 KDR (0.51) KDRFGFR1CDK8AXLRIPK1
SCHEMBL28278975 0.78 KDR (0.51) KDRFGFR1CDK8AXLRIPK1
SCHEMBL11990128 0.78 KDR (0.66) KDRFGFR1CDK8AXLRIPK1
SCHEMBL14638748 0.77 KDR (0.56) KDRFGFR1CDK8AXLRIPK1
SCHEMBL3348784 0.77 CDK8 (0.63) KDRFGFR1CDK8AXLRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO 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 (1 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KDR 1406/4885FGFR1 129/4885CDK8 271/4885

“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.