SCHEMBL2061608

SCHEMBL2061608

CC(C)N1CCCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
ALDH1A1 P00352 5/20 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
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2061015 0.83 CHRNB4 (0.46) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL9428128 0.81 ALDH1A1 (0.42) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL2060680 0.79 CHRNB4 (0.40) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL2060805 0.78 NOTUM (0.48) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL6427738 0.77 PIK3CD (0.47) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL30781048 0.77 PIK3CD (0.47) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL2061452 0.76 MAPT (0.39) CHRNB4CHRNA3ALDH1A1MEN1KMT2A
SCHEMBL2915985 0.74 ALDH1A1 (0.41) CHRNB4CHRNA3ALDH1A1LMNAPIK3CD
SCHEMBL22402387 0.74 POLB (0.41) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6176185 0.73 ROCK1 (0.48) ALDH1A1LMNAMEN1KMT2AGAA

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 4261/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CHRNB4 4290/4885CHRNA3 4261/4885ALDH1A1 77/4885

“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.