SCHEMBL29437822

SCHEMBL29437822

C1=CC(c2cnc(NCc3ccccc3)nc2)=CCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.46
HDAC6 Q9UBN7 5/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 1/20 0.43
ACHE P22303 1/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PLK1 P53350 1/20 0.39
FABP1 P07148 1/20 0.38
FABP6 P51161 1/20 0.38

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
SCHEMBL29437818 0.82 HDAC3 (0.48) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL29437820 0.75 VNN1 (0.42) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22482871 0.72
SCHEMBL22202122 0.72 VNN1 (0.39) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL25934991 0.70 VNN1 (0.43) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22191191 0.70 VNN1 (0.59) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24794924 0.70 CHRNB2 (0.44)
SCHEMBL23405896 0.69 FABP1 (0.54) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL29743851 0.69 FABP1 (0.54) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24137801 0.69 VNN1 (0.47) VNN1HDAC6HDAC3HDAC1HDAC2

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 VNN1 4064/4885HDAC6 1097/4885HDAC3 831/4885

“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.