SCHEMBL1614857

SCHEMBL1614857

Nc1ncnc2c1c(-c1ccc(Oc3ccc(O)cc3)cc1)nn2C1CCCN(C(=O)C(O)CO)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.75
▸ EGFR P00533 4/20 0.65
▸ TEC P42680 3/20 0.65
▸ BMX P51813 3/20 0.65
▸ TXK P42681 2/20 0.65
▸ LYN P07948 2/20 0.65
▸ FGFR2 P21802 2/20 0.65
▸ ITK Q08881 2/20 0.65
▸ FLT3 P36888 2/20 0.65
▸ RIPK2 O43353 1/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ SLC22A3 O75751 1/20 0.65
▸ LATS1 O95835 1/20 0.65
▸ NUDT14 O95848 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ ERBB2 P04626 1/20 0.65
▸ LCK P06239 1/20 0.65
▸ FYN P06241 1/20 0.65
▸ PGR P06401 1/20 0.65
▸ CSF1R P07333 1/20 0.65

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
SCHEMBL3362936 0.94 BTK (0.85) BTKEGFRTECBMXTXK
SCHEMBL3362233 0.94 BTK (0.85) BTKEGFRTECBMXTXK
SCHEMBL17457268 0.94 BTK (0.85) BTKEGFRTECBMXTXK
SCHEMBL3361369 0.89 BTK (0.78) BTKEGFRFLT3KIT
SCHEMBL3361363 0.89 BTK (0.78) BTKEGFRFLT3KIT
SCHEMBL12713493 0.88 EGFR (0.73) BTKEGFRTECBMXTXK
SCHEMBL12712628 0.87 BTK (0.74) BTKEGFRTECBMXTXK
SCHEMBL1613634 0.87 BTK (0.74) BTKEGFRTECBMXTXK
SCHEMBL13337309 0.87 BTK (0.84) BTKEGFRTECBMXTXK
SCHEMBL17951804 0.86 BTK (1.00) BTKEGFRTECBMXTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP disclosed
WO-2011046964-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-21 — — WO disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — US disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — US disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — 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-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885TEC 258/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885TEC 258/4885

“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.

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