SCHEMBL2060680

SCHEMBL2060680

CCN1CCCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ESPL1 Q14674 1/20 0.38

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
SCHEMBL2061320 0.90 ALDH1A1 (0.43) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL2915985 0.85 ALDH1A1 (0.41) CHRNB4CHRNA3KMT2AMEN1CRHBP
SCHEMBL2061015 0.83 CHRNB4 (0.46) CHRNB4CHRNA3KMT2AMEN1CRHBP
SCHEMBL6368485 0.83 SMN1; SMN2 (0.43) KMT2AALDH1A1LMNAMAPT
SCHEMBL5518656 0.81 ALDH1A1 (0.42) CHRNB4CHRNA3KMT2AMEN1CRHBP
SCHEMBL2061608 0.79 CHRNB4 (0.40) CHRNB4CHRNA3KMT2AMEN1CRHBP
SCHEMBL2060614 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2062039 0.78 SLC5A1 (0.42) CHRNB4CHRNA3KMT2AMEN1ALDH1A1
SCHEMBL2060805 0.78 NOTUM (0.48) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL30781048 0.77 PIK3CD (0.47) CHRNB4CHRNA3KMT2AMEN1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CHRNB4 4290/4885CHRNA3 4261/4885KMT2A 501/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CHRNB4 4290/4885CHRNA3 4261/4885KMT2A 501/4885

“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.