SCHEMBL2060641

SCHEMBL2060641

O=[N+]([O-])c1c(F)cc(F)cc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
ALDH1A1 P00352 7/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
CTSB P07858 1/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 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
SCHEMBL3490837 0.87 MAPT (0.53) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL26834486 0.85 MAPT (0.51) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL26834482 0.85 MAPT (0.51) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16532772 0.82 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL970203 0.80 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9059492 0.79 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21032115 0.78 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30168906 0.78 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8306007 0.76 MAPT (0.53) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3154116 0.76 MAPT (0.64) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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 14 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 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
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 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 (4 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 MAPT 2817/4885ALDH1A1 206/4885CYP1A2 19/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET MAPT 3881/4885ALDH1A1 77/4885CYP1A2 1799/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 MAPT 1406/4885ALDH1A1 178/4885CYP1A2 3/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MAPT 3881/4885ALDH1A1 77/4885CYP1A2 1799/4885

“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.