SCHEMBL2455307

SCHEMBL2455307

CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(-c3cccc(C(=O)NCCN(C)C)c3)ccc12)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.59
KCNH2 Q12809 2/20 0.59
CHEK1 O14757 1/20 0.45
PARP1 P09874 2/20 0.43
ABL1 P00519 2/20 0.42
EGFR P00533 1/20 0.42
MAP4K4 O95819 1/20 0.40
BCR P11274 1/20 0.39
CSNK2A1 P68400 1/20 0.39
FYN P06241 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL2459201 0.94 JAK2 (0.60) JAK2KCNH2CHEK1ABL1EGFR
SCHEMBL2461549 0.83 JAK2 (0.61) JAK2KCNH2
SCHEMBL2457854 0.82 JAK2 (0.59) JAK2KCNH2
SCHEMBL13289281 0.82 JAK2 (0.59) JAK2KCNH2CHEK1
SCHEMBL12333593 0.80 JAK2 (0.68) JAK2KCNH2CHEK1
SCHEMBL2458408 0.80 JAK2 (0.63) JAK2KCNH2
SCHEMBL2456493 0.79 JAK2 (0.55) JAK2KCNH2
SCHEMBL2459147 0.77 JAK2 (0.72) JAK2KCNH2CHEK1
SCHEMBL13662652 0.77 CHEK1 (0.60) JAK2CHEK1PARP1ABL1MAP4K4
SCHEMBL2457366 0.76 JAK2 (0.69) JAK2KCNH2

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 11 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
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
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
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
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 US 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
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO 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 JAK2 1/4885KCNH2 2002/4885CHEK1 657/4885

“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.