SCHEMBL14907714

SCHEMBL14907714

N=C(NCc1cccc(NC(=O)C#Cc2ccccc2)c1)NCc1ccnc2[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.48
GFER P55789 1/20 0.42
BRAF P15056 3/20 0.41
BTK Q06187 5/20 0.40
CIT O14578 1/20 0.38
RET P07949 1/20 0.37
ROCK1 Q13464 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL14894031 0.93 VCP (0.50) VCPGFERBRAFBTKCIT
SCHEMBL14894201 0.91 VCP (0.48) VCPGFERBRAFBTKCIT
SCHEMBL16141489 0.89 BRAF (0.49) VCPBRAFBTKROCK2
SCHEMBL14907671 0.87 VCP (0.44) VCPGFERBRAFBTKRET
SCHEMBL14894298 0.87 VCP (0.48) VCPGFERBRAFBTKCIT
SCHEMBL14894414 0.86 VCP (0.46) VCPGFERBRAFBTKCIT
SCHEMBL14894064 0.86 VCP (0.46) VCPGFERBRAFBTKCIT
SCHEMBL16107729 0.86 VCP (0.46) VCPGFERBRAFBTKCIT
SCHEMBL14907713 0.86 VCP (0.46) VCPGFERBRAFBTKCIT
SCHEMBL14894183 0.83 NPC1 (0.42) VCPBRAFCITROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 WO 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B VCP 4187/4885GFER 2800/4885BRAF 1473/4885

“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.