SCHEMBL297807

SCHEMBL297807

COC(=O)CCc1cnc2[nH]ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.63
FGFR1 P11362 1/20 0.63
ABL1 P00519 1/20 0.51
CDK8 P49336 14/20 0.48
PLK4 O00444 1/20 0.44
DCLK1 O15075 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.44
INSR P06213 1/20 0.44
CDK1 P06493 1/20 0.44
FES P07332 1/20 0.44
ROS1 P08922 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 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
SCHEMBL299515 0.84 KDR (0.56) KDRFGFR1ABL1CDK8PLK4
SCHEMBL298631 0.80 KDR (0.52) KDRFGFR1ABL1CDK8PLK4
SCHEMBL1873717 0.79 KDR (0.53) KDRFGFR1ABL1CDK8PLK4
SCHEMBL11990128 0.77 KDR (0.66) KDRFGFR1ABL1CDK8PLK4
SCHEMBL4562744 0.77 CDK8 (0.65) KDRFGFR1ABL1CDK8PLK4
SCHEMBL15901671 0.77 HDAC1 (0.54) ABL1
SCHEMBL298329 0.76 NPC1 (0.49) KDRFGFR1PLK4MAP4K4ROS1
SCHEMBL1961949 0.76 KDR (0.64) KDRFGFR1ABL1CDK8PLK4
SCHEMBL4820884 0.76 TRPM5 (0.55) CDK8
SCHEMBL27033549 0.76 KDR (0.50) KDRFGFR1ABL1CDK8PLK4

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 129/4885ABL1 698/4885

“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.