SCHEMBL2060269

SCHEMBL2060269

C=C(C)c1ccc([N+](=O)[O-])cc1CCC#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
VCAM1 P19320 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 3/20 0.35
CTSB P07858 1/20 0.35
TSHR P16473 1/20 0.35
EIF2AK2 P19525 1/20 0.35
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NQO2 P16083 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL28835339 0.79 ALDH1A1 (0.51) LMNAMAPTALDH1A1TDP1VCAM1
SCHEMBL4002430 0.76 ALDH1A1 (0.51) LMNAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL31125114 0.73 VCAM1 (0.51) LMNARECQLMAPTSMN1; SMN2ALDH1A1
SCHEMBL4001556 0.73 HSD17B10 (0.51) LMNAMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL4000816 0.73 ALDH1A1 (0.45) LMNAALDH1A1TDP1VCAM1KMT2A
SCHEMBL23509618 0.71 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL10289738 0.71 GPR35 (0.55) LMNARECQLMAPTSMN1; SMN2ALDH1A1
SCHEMBL31415431 0.70 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL10290116 0.70 TDP1 (0.65) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL14269176 0.70 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TDP1CYP3A4

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 LMNA 3814/4885RECQL 2146/4885MAPT 3881/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET LMNA 3814/4885RECQL 2146/4885MAPT 3881/4885

“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.