SCHEMBL8446377

SCHEMBL8446377

NC1=NC(Br)=CN2CCN=C12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
DNMT1 P26358 1/20 0.30
RAD52 P43351 1/20 0.30
UHRF1 Q96T88 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
SCHEMBL14309129 0.82 HDAC8 (0.30) HDAC8HDAC4HDAC7HDAC5
SCHEMBL14309130 0.77 HRH4 (0.33) HRH4
SCHEMBL8427888 0.67 DNMT1 (0.31) DNMT1RAD52UHRF1
SCHEMBL20125021 0.57 KDM4E (0.36)
SCHEMBL8426619 0.56 PTAFR (0.36) PTGS2
SCHEMBL2606658 0.51 KDM4E (0.51) HDAC8
SCHEMBL5322696 0.48
SCHEMBL1316573 0.47 NOS1 (0.40) DNMT1RAD52UHRF1
SCHEMBL16041282 0.45
SCHEMBL17262654 0.42 MAPT (0.47)

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-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2004-04-01 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-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 HDAC8 727/4885HDAC4 625/4885HDAC7 849/4885

“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.