SCHEMBL264964

SCHEMBL264964

Nc1ncc(-c2cccc(CN3CCOCC3)c2)c(N)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.58
LRRK2 Q5S007 2/20 0.52
NCF1 P14598 1/20 0.51
PIK3CD O00329 5/20 0.51
DHFR P00374 3/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
PSMB8 P28062 1/20 0.48
PARP1 P09874 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CHEK1 O14757 1/20 0.45

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
SCHEMBL5124906 0.86 DHFR (0.50) USP7DHFR
SCHEMBL264111 0.85 HRH3 (0.56) USP7LRRK2PIK3CDDHFR
SCHEMBL4937481 0.80 USP7 (0.54) USP7LRRK2NCF1PIK3CDCNR1
SCHEMBL4611806 0.79 DHFR (0.71) DHFR
SCHEMBL14988278 0.76 NCF1 (0.53) USP7LRRK2NCF1PIK3CDCNR1
SCHEMBL18066751 0.74 USP7 (1.00) USP7
SCHEMBL29586142 0.74 USP7 (1.00) USP7
SCHEMBL1690875 0.73 ALDH1A1 (0.66) NCF1CNR1CNR2PSMB8
SCHEMBL16054137 0.73 NCF1 (0.60) USP7LRRK2NCF1CNR1CNR2
SCHEMBL1612996 0.73 PIK3CA (0.44) LRRK2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
CN-103626742-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2014-03-12 CN disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 USP7 3443/4885LRRK2 490/4885NCF1 2240/4885

“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.