SCHEMBL18527559

SCHEMBL18527559

CN1CCC(Oc2ccc(Nc3ncc4cccc(-c5cccc(C=CC(N)=O)c5)c4n3)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
AXL P30530 1/20 0.46
FGFR1 P11362 2/20 0.46
KDR P35968 2/20 0.46
JAK2 O60674 3/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
JUN P05412 3/20 0.42
MAPK10 P53779 3/20 0.42
PTK2 Q05397 1/20 0.42
BRD4 O60885 1/20 0.42
ITK Q08881 1/20 0.41
MAPK8 P45983 1/20 0.41
FGFR2 P21802 2/20 0.41
MAP4K1 Q92918 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL18527570 0.88 EGFR (0.52) EGFRFGFR1KDRJAK2JAK1
SCHEMBL16514436 0.85 EGFR (0.62) EGFRAXLFGFR1KDRJAK2
SCHEMBL16514340 0.84 EGFR (0.69) EGFRAXLFGFR1KDRITK
SCHEMBL16514198 0.81 EGFR (0.53) EGFRJAK2JAK1TYK2JAK3
SCHEMBL16514550 0.81 EGFR (0.61) EGFRFGFR1KDRJAK2JAK1
SCHEMBL18527549 0.80 FGFR1 (0.46) EGFRFGFR1KDRJAK2JAK1
SCHEMBL18527531 0.80 FGFR2 (0.52) EGFRAXLFGFR1KDRJAK2
SCHEMBL16513994 0.80 EGFR (0.63) EGFRFGFR1KDRJAK2JAK3
SCHEMBL18527569 0.79 FGFR1 (0.48) EGFRFGFR1KDRJAK2JAK1
SCHEMBL18527576 0.79 FGFR1 (0.55) EGFRFGFR1KDRJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 US 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-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 EGFR 555/4885AXL 861/4885FGFR1 519/4885

“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.