SCHEMBL18527570

SCHEMBL18527570

CN1CCC(Nc2ccc(Nc3ncc4cccc(-c5cccc(C=CC(N)=O)c5)c4n3)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
FGFR1 P11362 3/20 0.49
KDR P35968 3/20 0.49
PTK2 Q05397 2/20 0.45
JAK2 O60674 6/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
TYK2 P29597 1/20 0.43
FGFR2 P21802 3/20 0.43
BRD4 O60885 5/20 0.42
MAP4K1 Q92918 1/20 0.41
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
SYK P43405 1/20 0.40
CCNT1 O60563 1/20 0.39
CCNE1 P24864 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
SCHEMBL18527531 0.92 FGFR2 (0.52) EGFRFGFR1KDRPTK2JAK2
SCHEMBL18527549 0.92 FGFR1 (0.46) EGFRFGFR1KDRPTK2JAK2
SCHEMBL18527559 0.88 EGFR (0.50) EGFRFGFR1KDRPTK2JAK2
SCHEMBL16514436 0.87 EGFR (0.62) EGFRFGFR1KDRJAK2JAK1
SCHEMBL16514903 0.83 FGFR1 (0.71) EGFRFGFR1KDRPTK2JAK2
SCHEMBL16513994 0.81 EGFR (0.63) EGFRFGFR1KDRJAK2JAK3
SCHEMBL16514587 0.81 FGFR1 (0.55) EGFRFGFR1KDRJAK2JAK1
SCHEMBL16513747 0.80 EGFR (0.61) EGFRFGFR1KDRJAK2JAK1
SCHEMBL16514550 0.80 EGFR (0.61) EGFRFGFR1KDRJAK2JAK1
Maleic Acid SCHEMBL16514328 0.79 FGFR1 (0.56) EGFRFGFR1KDRJAK2FGFR2

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 555/4885FGFR1 519/4885KDR 720/4885

“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.