SCHEMBL2060423

SCHEMBL2060423

COCCOc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 4/20 0.40
POLB P06746 1/20 0.40
S1PR4 O95977 3/20 0.40
KCNN4 O15554 1/20 0.38
HPD P32754 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL30870635 1.00 NPC1 (0.46) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL23352311 0.89 NPC1 (0.53) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL19699785 0.86 CYP19A1 (0.45) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL25293041 0.86 MAPT (0.44) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL25435457 0.86 SMN1; SMN2 (0.50) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL18122105 0.85 GRIN2D (0.45) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL9870401 0.83 NPC1 (0.44) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL837892 0.83 ALDH1A1 (0.55) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL3372774 0.83 NPC1 (0.60) NPC1RAB9ARECQLSMN1; SMN2KMT2A
SCHEMBL27693986 0.83 L3MBTL1 (0.47) NPC1RAB9ARECQLSMN1; SMN2KMT2A

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 NPC1 3414/4885RAB9A 2927/4885RECQL 2146/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NPC1 3414/4885RAB9A 2927/4885RECQL 2146/4885

“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.