SCHEMBL14617841

SCHEMBL14617841

Nc1ncnc2[nH]nc(-c3ccc(Oc4cccc(F)c4)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.52
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PRKDC P78527 2/20 0.48
NUDT14 O95848 2/20 0.48
NUDT5 Q9UKK9 2/20 0.48
TNK2 Q07912 1/20 0.46
MAP4K4 O95819 2/20 0.45
LCK P06239 2/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 0.41
LYN P07948 1/20 0.40

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
SCHEMBL15613551 0.88 LCK (0.52) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17626654 0.88 NUDT14 (0.48) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL200349 0.86 NUDT14 (0.62) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17235730 0.86 BTK (0.49) BTKPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL29439185 0.85 NUDT14 (0.61) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30387716 0.83 PIK3CD (0.65) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10855 0.82 MAP4K4 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL15613541 0.81 BTK (0.60) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12808147 0.80 BTK (0.50) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18235468 0.80 KDR (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 WO disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885PIK3CD 534/4885PIK3CA 520/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885PIK3CD 534/4885PIK3CA 520/4885

“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.