SCHEMBL3512124

SCHEMBL3512124

CCC(C(=O)O)n1cc(C(C)(O)c2cccc(Br)n2)nn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM4 O15151 3/20 0.33
TP53 P04637 3/20 0.33
MDM2 Q00987 2/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL3508024 0.78 JAK2 (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL13269879 0.77 MDM4 (0.39) ALDH1A1HPGDMDM4TP53MDM2
SCHEMBL3508631 0.75 RAD52 (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL13117352 0.72 MAPK1 (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3507470 0.72 MDM4 (0.38) MDM4TP53MDM2
SCHEMBL1041388 0.71 HTR7 (0.33) ALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL1155990 0.66 KDM4E (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL10675822 0.65 KDM4E (0.38) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1643042 0.65 CYP2C19 (0.41) ALDH1A1HPGDMAPK1HSD17B10MDM4
SCHEMBL12985281 0.65 HSD17B1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 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 (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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 KDM4E 653/4885ALDH1A1 3244/4885HPGD 2595/4885

“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.