SCHEMBL298329

SCHEMBL298329

O=C(CCc1cnc2[nH]ccc2c1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NAAA Q02083 1/20 0.45
POLB P06746 1/20 0.43
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ROS1 P08922 1/20 0.42
FLT1 P17948 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK1G2 P78368 1/20 0.42
MAP4K2 Q12851 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
SCHEMBL298859 0.89 KDR (0.54) FGFR1KDRGAAALOX15PLK4
SCHEMBL299515 0.80 KDR (0.56) FGFR1KDRPLK4JAK2MAP4K4
SCHEMBL297807 0.76 KDR (0.63) FGFR1KDRPLK4MAP4K4ROS1
SCHEMBL298969 0.75 KDR (0.51) FGFR1KDRFLT3
SCHEMBL1873717 0.75 KDR (0.53) FGFR1KDRPLK4JAK2MAP4K4
SCHEMBL4827692 0.75 PLK4 (0.57) FGFR1KDRHPGDPLK4JAK2
SCHEMBL7874310 0.74 FGFR1 (0.49) FGFR1KDRFLT3KLKB1
SCHEMBL23675226 0.74 PLK4 (0.56) FGFR1KDRHPGDPLK4JAK2
SCHEMBL298631 0.73 KDR (0.52) FGFR1KDRPLK4JAK2MAP4K4
SCHEMBL4562744 0.73 CDK8 (0.65) FGFR1KDRPLK4JAK2MAP4K4

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 NPC1 4710/4885TDP1 3504/4885FGFR1 129/4885

“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.