SCHEMBL299250

SCHEMBL299250

c1cc2cc(CCCN3CCOCC3)cnc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.53
SIGMAR1 Q99720 4/20 0.49
POLB P06746 1/20 0.49
FGFR1 P11362 2/20 0.48
KDR P35968 2/20 0.48
FLT3 P36888 2/20 0.44
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FLT1 P17948 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G2 P78368 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44
NTRK3 Q16288 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL298969 0.88 KDR (0.51) CD274SIGMAR1FGFR1KDRFLT3
SCHEMBL299467 0.84 CD274 (0.51) CD274FGFR1KDRFLT3PLK4
SCHEMBL1267865 0.78 CD274 (0.53) CD274ALDH1A1KDM4E
SCHEMBL298859 0.77 KDR (0.54) CD274FGFR1KDRFLT3PLK4
SCHEMBL23769910 0.74 CD274 (0.59) CD274FGFR1KDRFLT3PLK4
SCHEMBL19891723 0.74 KDR (0.62) FGFR1KDRFLT3PLK4MAP4K4
SCHEMBL31023203 0.73 FAAH (0.45) CD274FGFR1KDRFLT3PLK4
SCHEMBL3263731 0.73 KDR (0.61) FGFR1KDRFLT3PLK4MAP4K4
SCHEMBL13808694 0.72 CD274 (0.52) CD274FGFR1KDRFLT3PLK4
SCHEMBL856151 0.72 PIK3CA (0.51) CD274POLBFGFR1KDRFLT3

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 CD274 4496/4885SIGMAR1 2803/4885POLB 2779/4885

“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.