SCHEMBL1612797

SCHEMBL1612797

Nc1ncc(-c2cc(I)ccc2F)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.45
FGFR1 P11362 3/20 0.37
SRC P12931 1/20 0.36
RPS6KA3 P51812 1/20 0.36
ADORA1 P30542 1/20 0.35

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
SCHEMBL1612609 0.81 DHFR (0.51) DHFRFGFR1
SCHEMBL1613741 0.77 DHFR (0.55) DHFRADORA1
SCHEMBL4613355 0.76 DHFR (0.51) DHFRADORA1
SCHEMBL30219604 0.76 MAP3K14 (0.50)
SCHEMBL28986232 0.76 MAP3K14 (0.50)
SCHEMBL27612436 0.75 DHFR (0.45) DHFRFGFR1RPS6KA3ADORA1
SCHEMBL1936800 0.74 DHFR (0.57) DHFRFGFR1ADORA1
SCHEMBL1388517 0.70 DHFR (0.74) DHFRFGFR1SRCADORA1
SCHEMBL28201122 0.69 DHFR (0.51) DHFRFGFR1
SCHEMBL8894121 0.69 DHFR (0.47) DHFRFGFR1SRC

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-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 816/4885SRC 230/4885

“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.