SCHEMBL3508024

SCHEMBL3508024

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ALB P02768 1/20 0.36
CA2 P00918 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL3508631 0.80 RAD52 (0.34) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL3512124 0.78 KDM4E (0.33) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL17108201 0.77 CYP19A1 (0.35) PDE2ACYP19A1
SCHEMBL12985281 0.76 HSD17B1 (0.48) ALBCA2CA9HDAC3HDAC4
SCHEMBL13270018 0.72 SRC (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1646427 0.72 HDAC3 (0.37) JAK2JAK1TYK2JAK3ALB
SCHEMBL17055767 0.71 CCNK (0.42) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL3508263 0.71 PDE2A (0.37) JAK2JAK1TYK2JAK3ALB
SCHEMBL1155990 0.70 KDM4E (0.39) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL3510500 0.70 EGLN1 (0.45) JAK2JAK1TYK2JAK3ALB

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 JAK2 1/4885JAK1 3/4885TYK2 5/4885

“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.