SCHEMBL2062325

SCHEMBL2062325

CC1(C)OC(=O)CCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.44
▸ PNMT P11086 6/20 0.43
▸ ADRA2A P08913 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ADRA2B P18089 3/20 0.40
▸ ADRA2C P18825 3/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 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
SCHEMBL2063038 0.77 TDP2 (0.48) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL2062196 0.73 TDP2 (0.51) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL12827583 0.73 PNMT (0.49) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL30709850 0.73 PNMT (0.65) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL9483063 0.73 PNMT (0.65) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL31448378 0.72 ALDH1A1 (0.53) TDP2ALDH1A1MALT1LMNAMEN1
SCHEMBL21962048 0.72 ALDH1A1 (0.53) TDP2ALDH1A1MALT1LMNAMEN1
Ammonia Solution, Strong SCHEMBL28784417 0.72 PNMT (0.47) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL28240873 0.72 TDP2 (0.53) TDP2PNMTADRA2AALDH1A1ADRA2B
SCHEMBL5388614 0.72 ALDH1A1 (0.45) TDP2PNMTADRA2AALDH1A1ADRA2B

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-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
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — 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 (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 TDP2 2279/4885PNMT 2981/4885ADRA2A 2163/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET TDP2 2279/4885PNMT 2981/4885ADRA2A 2163/4885

“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.

Send feedback