SCHEMBL13820144

SCHEMBL13820144

CNCC(NC)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)c(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ AR P10275 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL13820104 0.84 GRM5 (0.38) KMT2AMEN1
SCHEMBL13820121 0.84 — —
SCHEMBL13820102 0.82 L3MBTL1 (0.35) KMT2AMEN1
SCHEMBL13820116 0.81 HCAR2 (0.31) KMT2AMEN1
SCHEMBL13717154 0.76 SIRT5 (0.33) KMT2AMEN1
SCHEMBL13820172 0.76 TERT (0.39) AAK1SPHK1ROCK2
SCHEMBL13820151 0.75 TERT (0.39) KMT2AMEN1
SCHEMBL13717238 0.67 RAB9A (0.33) KMT2AMEN1
SCHEMBL13820214 0.66 CA1 (0.46) KMT2AMEN1
SCHEMBL3280863 0.65 PARP1 (0.37) KMT2A

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 AAK1 1507/4885SPHK1 4184/4885KMT2A 1160/4885

“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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