SCHEMBL1727090

SCHEMBL1727090

CN(C)c1cc(F)c2c(=O)[nH]ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CHEK1 O14757 13/20 0.39
JAK2 O60674 2/20 0.37
RPS6KA3 P51812 1/20 0.37
MELK Q14680 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP1 P09874 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
SCHEMBL22093860 0.79 JAK2 (0.44) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13139330 0.78 CHEK1 (0.40) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL8348282 0.75 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL30016027 0.75 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13975636 0.74 BTK (0.43) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL14714012 0.72 CHEK1 (0.36) MAPTCHEK1JAK2RPS6KA3MELK
SCHEMBL1432106 0.71 KDM4E (0.53) MAPTKDM4EPARP1
SCHEMBL27160201 0.71 ENPP2 (0.41) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL1725900 0.70 BTK (0.39) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL16802193 0.70 CHEK1 (0.36) CHEK1JAK2RPS6KA3MELKSTK24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MAPT 3923/4885CHEK1 639/4885JAK2 10/4885

“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.