SCHEMBL1612609

SCHEMBL1612609

Cc1ccc(I)cc1-c1cnc(N)nc1N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.51
FGFR1 P11362 2/20 0.47
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 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
SCHEMBL4188897 0.83 DHFR (0.54) DHFRFGFR1LCKKDRJAK3
SCHEMBL1612797 0.81 DHFR (0.45) DHFRFGFR1
SCHEMBL1613741 0.80 DHFR (0.55) DHFR
SCHEMBL27612441 0.77 DHFR (0.55) DHFRFGFR1LCKKDRJAK3
SCHEMBL4464780 0.76 FGFR1 (0.55) DHFRFGFR1LCKKDRJAK3
SCHEMBL18676904 0.74 LMNA (0.42)
SCHEMBL1936800 0.74 DHFR (0.57) DHFRFGFR1
SCHEMBL4357670 0.73 DHFR (0.50) DHFRFGFR1LCKKDRJAK3
SCHEMBL27631706 0.72 DHFR (0.68) DHFRFGFR1LCKKDRJAK3
SCHEMBL1613564 0.71 DHFR (0.38) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 DHFR 2398/4885FGFR1 816/4885LCK 31/4885

“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.