SCHEMBL13820149

SCHEMBL13820149

NCC(N)C(=O)NC(CN)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.34
▸ ROCK1 Q13464 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ MYLK4 Q86YV6 1/20 0.30

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
SCHEMBL13820140 0.87 RAB9A (0.33) ROCK2ROCK1MEN1KMT2AAAK1
SCHEMBL13820151 0.86 TERT (0.39) MEN1KMT2A
SCHEMBL13820172 0.82 TERT (0.39) ROCK2AAK1
SCHEMBL13820144 0.78 AAK1 (0.32) ROCK2MEN1KMT2AAAK1
SCHEMBL13717008 0.77 RAB9A (0.37) ROCK2ROCK1MEN1KMT2AAAK1
SCHEMBL13717004 0.77 RAB9A (0.37) ROCK2ROCK1MEN1KMT2AAAK1
SCHEMBL13820105 0.76 PTPN11 (0.40) ROCK2
SCHEMBL13717154 0.76 SIRT5 (0.33) MEN1KMT2A
SCHEMBL13820101 0.73 L3MBTL1 (0.34) MEN1KMT2A
SCHEMBL13820215 0.73 RAB9A (0.35) ROCK2ROCK1MEN1KMT2AMYLK4

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
US-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES The Florida State University Research Foundation, Inc. (US) 2012-11-15 — — 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-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES DNPEP, DCLRE1A, PCNA ROCK2 4178/4885ROCK1 4503/4885MEN1 3350/4885

“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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