SCHEMBL18136229

SCHEMBL18136229

CCCN(CCCCCNC)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.54
CA12 O43570 4/20 0.38
CA1 P00915 3/20 0.38
CA7 P43166 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC3 O15379 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 5/20 0.37
HDAC6 Q9UBN7 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 2/20 0.31
DRD2 P14416 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
SCHEMBL18163279 0.85 CA14 (0.53) CA14CA12CA1CA7HDAC1
SCHEMBL26616523 0.85 CA14 (0.53) CA14CA12CA1CA7HDAC1
SCHEMBL14877951 0.85 CA14 (0.58) CA14CA12CA1CA7TDP1
SCHEMBL14877954 0.85 CA14 (0.58) CA14CA12CA1CA7TDP1
SCHEMBL18599054 0.84 CA14 (0.54) CA14CA12CA1CA7HDAC1
SCHEMBL24201557 0.84 CA14 (0.52) CA14CA12CA1CA7HDAC1
SCHEMBL9017295 0.83 CA14 (0.59) CA14CA12CA1HDAC1HDAC2
SCHEMBL14161171 0.83 CA14 (0.54) CA14CA12CA1CA7HDAC1
SCHEMBL9017341 0.82 CA14 (0.62) CA14CA12CA1HDAC1HDAC2
SCHEMBL14877953 0.82 CA14 (0.55) CA14CA12CA1CA7TDP1

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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CA14 4326/4885CA12 4120/4885CA1 2531/4885

“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.