SCHEMBL298859

SCHEMBL298859

O=C(CCc1cnc2[nH]ccc2c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.54
▸ FGFR1 P11362 2/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ FLT1 P17948 1/20 0.54
▸ MARK3 P27448 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ CSNK1G2 P78368 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ NTRK3 Q16288 1/20 0.54
▸ MINK1 Q8N4C8 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ PRKD2 Q9BZL6 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54
▸ MAP4K5 Q9Y4K4 1/20 0.54

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
SCHEMBL298329 0.89 NPC1 (0.49) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL299250 0.77 CD274 (0.53) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL299515 0.77 KDR (0.56) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL299467 0.76 CD274 (0.51) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL297807 0.74 KDR (0.63) KDRFGFR1PLK4MAP4K4ROS1
SCHEMBL1873717 0.72 KDR (0.53) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL858226 0.72 PLK4 (0.80) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL298631 0.71 KDR (0.52) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL4562744 0.71 CDK8 (0.65) KDRFGFR1PLK4JAK2MAP4K4
SCHEMBL31428940 0.71 FKBP1A (0.56) KDRFKBP1AALDH1A1NPSR1TSHR

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 129/4885PLK4 178/4885

“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.

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