SCHEMBL22868098

SCHEMBL22868098

CCn1cc(-c2ccccc2F)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 5/20 0.54
TEK Q02763 4/20 0.54
KDR P35968 3/20 0.54
CNR2 P34972 1/20 0.47
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
TLR8 Q9NR97 1/20 0.45
F2RL3 Q96RI0 1/20 0.40
RET P07949 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 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
SCHEMBL22868021 0.81 HDAC8 (0.53) EPHB4TEKKDRCCNKCDK12
SCHEMBL29275460 0.81 EPHB4 (0.70) EPHB4TEKKDRTP53MDM2
SCHEMBL22868177 0.80 CA1 (0.48) CNR2CCNKCDK12TLR8F2RL3
SCHEMBL25381974 0.78 EPHB4 (0.50) EPHB4TEKKDRCNR2TP53
SCHEMBL26097001 0.78 TP53 (0.46) EPHB4TEKKDRTP53MDM2
SCHEMBL25382666 0.78 MAPK14 (0.49) EPHB4TEKKDRCNR2
SCHEMBL22868086 0.78 HDAC3 (0.57) CCNKCDK12TLR8ADORA2ANPC1
SCHEMBL2688099 0.77 BRD4 (0.51) EPHB4TEKKDRTLR8F2RL3
SCHEMBL3777940 0.75 CYP19A1 (0.66) EPHB4TEKKDRCYP19A1NPC1
SCHEMBL19454844 0.75 UCHL5 (0.48) CCNKCDK12KDM4EKDM5CKDM4C

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 3 patents. 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
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2021-01-07 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 (3 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-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A EPHB4 3023/4885TEK 2719/4885KDR 3511/4885
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A EPHB4 3023/4885TEK 2719/4885KDR 3511/4885
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME KDM1B, KDM3A, KDM1A EPHB4 3023/4885TEK 2719/4885KDR 3511/4885

“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.