SCHEMBL15900310

SCHEMBL15900310

O=C(Cl)C=CCn1cccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FDPS P14324 1/20 0.39
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
BTK Q06187 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL20974810 0.84 TBXAS1 (0.44) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL23156776 0.82 FDPS (0.39) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL24781633 0.78 FDPS (0.36) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL24091427 0.78 FDPS (0.39) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL25765990 0.77 EGFR (0.41) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL17494121 0.75
SCHEMBL11412963 0.75
SCHEMBL24091423 0.74 EGFR (0.40) HDAC1HDAC6FDPSEGFRERBB2
SCHEMBL16079088 0.71
SCHEMBL8893769 0.71

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-9409921-B2 2,4-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-09 US disclosed
US-20140213574-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-07-31 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-20140213574-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC1 2071/4885HDAC6 138/4885FDPS 168/4885

“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.