SCHEMBL2062289

SCHEMBL2062289

COC1CNCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.54
ADRA2A P08913 3/20 0.54
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HTR2B P41595 5/20 0.45
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 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
SCHEMBL13012423 0.85 HTR2C (0.57) PNMTADRA2ACHRNB4CHRNA3CHRNB2
SCHEMBL13012422 0.85 HTR2C (0.57) PNMTADRA2ACHRNB4CHRNA3CHRNB2
SCHEMBL2910014 0.77 PNMT (0.42) PNMTADRA2AALDH1A1L3MBTL1CHRNB4
SCHEMBL10623918 0.77 PNMT (0.55) PNMTADRA2AHTR2AHTR2CHTR2B
SCHEMBL28167738 0.76 CHRNB4 (0.46) ALDH1A1L3MBTL1CHRNB4CHRNA3CHRNB2
SCHEMBL1013537 0.74 ALDH1A1 (0.52) PNMTADRA2AALDH1A1L3MBTL1CHRNB4
SCHEMBL9806183 0.74 ALDH1A1 (0.55) ALDH1A1L3MBTL1HTR2AHTR2CHTR2B
SCHEMBL3604041 0.74 ALDH1A1 (0.55) PNMTADRA2AALDH1A1L3MBTL1ADRA2B
Hydrochloric Acid SCHEMBL7510081 0.73 ALDH1A1 (0.51) PNMTADRA2AALDH1A1L3MBTL1CHRNB4
SCHEMBL15270135 0.73 ALDH1A1 (0.40) PNMTADRA2AALDH1A1L3MBTL1CHRNB4

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 PNMT 2981/4885ADRA2A 2163/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET PNMT 2981/4885ADRA2A 2163/4885ALDH1A1 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.