SCHEMBL2461796

SCHEMBL2461796

O=c1[nH]ccc2nc(C3CCCS3(O)O)c3ccc(Br)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.43
JAK2 O60674 9/20 0.42
TYMS P04818 2/20 0.36

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
SCHEMBL2457352 0.88 JAK2 (0.43) CHEK1JAK2TYMS
SCHEMBL2457841 0.81 JAK2 (0.50) CHEK1JAK2TYMS
SCHEMBL2460685 0.76 JAK2 (0.44) CHEK1JAK2TYMS
SCHEMBL2462573 0.73 JAK2 (0.53) CHEK1JAK2TYMS
SCHEMBL2457900 0.72 JAK2 (0.75) CHEK1JAK2
SCHEMBL2456351 0.71 CHEK1 (0.51) CHEK1JAK2TYMS
SCHEMBL2460761 0.69 JAK2 (0.49) CHEK1JAK2TYMS
SCHEMBL2460195 0.69 CHEK1 (0.51) CHEK1JAK2TYMS
SCHEMBL2457862 0.66 CHEK1 (0.48) CHEK1JAK2TYMS
SCHEMBL2455666 0.66 JAK2 (0.53) CHEK1JAK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP claimed
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 US claimed
US-8329722-B2 Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2012-12-11 US disclosed
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP disclosed
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 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-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 JAK2, PDK1, JAK1 CHEK1 657/4885JAK2 1/4885TYMS 2455/4885

“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.