SCHEMBL10201860

SCHEMBL10201860

COCCN(Cc1ccc(Nc2cc(Cl)nn(C)c2=O)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.37
MST1R Q04912 1/20 0.36
F10 P00742 1/20 0.35
P2RX3 P56373 4/20 0.33
PDE1B Q01064 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
POLB P06746 1/20 0.31
TYK2 P29597 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
CDK2 P24941 2/20 0.30
MAPK1 P28482 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL609351 0.89 F10 (0.39) MKNK2F10P2RX3PDE1BHDAC1
SCHEMBL608744 0.83 F10 (0.45) F10PDE1BBTK
SCHEMBL13139733 0.78 ALDH1A1 (0.42) MST1RHDAC3HDAC1HDAC2NCOR2
SCHEMBL10255882 0.75 BTK (0.36) MKNK2P2RX3PDE1BPOLBTYK2
SCHEMBL10255979 0.73 BTK (0.40) F10TYK2JAK2JAK1JAK3
SCHEMBL2602372 0.73 SSTR4 (0.40) MST1RHDAC3HDAC1HDAC2NCOR2
SCHEMBL18291249 0.72 GABRP (0.40) MST1RHDAC3HDAC1HDAC2NCOR2
SCHEMBL29563667 0.72 SSTR4 (0.44) MST1RHDAC3HDAC1HDAC2NCOR2
SCHEMBL109277 0.72 SSTR4 (0.44) MST1RHDAC3HDAC1HDAC2NCOR2
SCHEMBL28382231 0.72 BRAF (0.34) MKNK2TYK2JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MKNK2 398/4885MST1R 2012/4885F10 1411/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MKNK2 398/4885MST1R 2012/4885F10 1411/4885

“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.