SCHEMBL25983329

SCHEMBL25983329

CCn1cc(-c2ccc(-c3ccncc3)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC7 Q8WUI4 4/20 0.51
▸ HDAC2 Q92769 4/20 0.51
▸ HDAC10 Q969S8 4/20 0.51
▸ HDAC11 Q96DB2 4/20 0.51
▸ HDAC8 Q9BY41 4/20 0.51
▸ HDAC6 Q9UBN7 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ FLT3 P36888 2/20 0.47
▸ KDR P35968 3/20 0.47
▸ EPHB4 P54760 3/20 0.47
▸ TEK Q02763 3/20 0.47
▸ GSK3B P49841 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ SRC P12931 1/20 0.43

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
SCHEMBL16264704 0.84 CYP19A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9137418 0.82 SRC (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5053636 0.81 CYP19A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22868178 0.81 PTGS2 (0.52) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22868155 0.81 HSP90AA1 (0.60) KDREPHB4TEKCYP19A1SRC
SCHEMBL16264731 0.81 ALOX5 (0.56) KDREPHB4TEKCYP19A1SRC
SCHEMBL3777940 0.80 CYP19A1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18925015 0.79 MEN1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Bromide SCHEMBL1887515 0.79 CYP19A1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16264702 0.78 HDAC8 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 — — 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-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A HDAC3 189/4885HDAC4 207/4885HDAC1 212/4885

“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.

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