SCHEMBL2061732

SCHEMBL2061732

O=C(CN1CCCC1)N1CCCOc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
MAPT P10636 2/20 0.48
DRD2 P14416 1/20 0.46
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 9/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
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
SCHEMBL2062786 0.91 DRD2 (0.48) DRD4MAPTDRD2LMNAKMT2A
SCHEMBL2060573 0.83 MAPT (0.46) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28560567 0.83 ALDH1A1 (0.47) MAPTLMNAKMT2ATDP1ALDH1A1
SCHEMBL2062244 0.82 NOTUM (0.48) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL2061546 0.81 KDM4E (0.43) DRD4MAPTDRD2KMT2AALDH1A1
SCHEMBL2060579 0.80 ALDH1A1 (0.46) MAPTLMNAKMT2ATDP1ALDH1A1
SCHEMBL2060263 0.79 SCN9A (0.44) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL499395 0.79 MAPT (0.44) DRD4MAPTDRD2LMNAALDH1A1
SCHEMBL13521875 0.79 ALDH1A1 (0.45) DRD4MAPTLMNAALDH1A1CYP1A2
SCHEMBL2062464 0.78 ALDH1A1 (0.49) MAPTLMNAKMT2ATDP1ALDH1A1

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 DRD4 409/4885MAPT 3881/4885DRD2 779/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET DRD4 409/4885MAPT 3881/4885DRD2 779/4885

“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.