SCHEMBL611345

SCHEMBL611345

Nc1cc2n(n1)CCN(C1COC1)C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
MAP3K12 Q12852 4/20 0.31

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
SCHEMBL1393037 0.85 HRH3 (0.32)
SCHEMBL14930367 0.81 RIPK1 (0.33) MAP3K12
SCHEMBL10255061 0.78 CCNT1 (0.32) MAP3K12
SCHEMBL610980 0.75 ALDH1A1 (0.33)
SCHEMBL610486 0.66 BTK (0.46)
SCHEMBL14913284 0.66 GRM5 (0.46)
SCHEMBL24375229 0.64 PIK3CA (0.41) PIK3CAMTORMAP3K12
SCHEMBL20241721 0.62 PIK3CA (0.42) PIK3CAMTORMAP3K12
SCHEMBL18730503 0.62
SCHEMBL20092261 0.61

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2773632-B1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
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-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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
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 (3 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-20130116246-A1 8-FLUOROPHTHALAZIN-1(2H)-ONE COMPOUNDS BTK, LCK, SYK PIK3CA 185/4885MTOR 593/4885MAP3K12 31/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN PIK3CA 177/4885MTOR 441/4885MAP3K12 174/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PIK3CA 198/4885MTOR 322/4885MAP3K12 185/4885

“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.