SCHEMBL864157

SCHEMBL864157

Cc1cccc(Oc2nn(C3CCCC3)c3ncnc(N)c23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.56
LCK P06239 3/20 0.56
LYN P07948 1/20 0.56
PIK3CD O00329 13/20 0.52
PIK3CA P42336 13/20 0.52
PIK3CB P42338 13/20 0.52
PIK3CG P48736 13/20 0.52
PRKDC P78527 13/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDR P35968 14/20 0.50
ABL1 P00519 13/20 0.50
EGFR P00533 13/20 0.50
SRC P12931 13/20 0.50
HCK P08631 12/20 0.50
MTOR P42345 12/20 0.50
EPHB4 P54760 12/20 0.50

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
SCHEMBL863581 0.89 ABL1 (0.57) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL17090620 0.88 LCK (0.69) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL863295 0.87 CSNK1A1 (0.60) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL864640 0.87 BTK (0.56) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL14617692 0.87 BTK (0.60) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL13019968 0.85 CSNK1A1 (0.60) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL17090619 0.84 LCK (0.76) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL14617701 0.83 BTK (0.38) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL23259873 0.83 CSNK1A1 (0.62) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL14617691 0.83 LCK (0.67) BTKLCKLYNPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US claimed
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-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-8642606-B2 ZAP-70 active compounds PLEXXIKON INC. (US) 2014-02-04 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US disclosed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885LCK 19/4885LYN 6/4885
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS ZAP70, PRKCZ, PRKDC BTK 13/4885LCK 4/4885LYN 15/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885LCK 19/4885LYN 6/4885

“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.