SCHEMBL2062092

SCHEMBL2062092

Nc1ccc2c(c1)NC(=O)CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TMEM97 Q5BJF2 13/20 0.49
▸ SIGMAR1 Q99720 13/20 0.49
▸ HRH1 P35367 5/20 0.49
▸ HRH3 Q9Y5N1 5/20 0.49
▸ HRH2 P25021 4/20 0.49
▸ HTR1A P08908 3/20 0.49
▸ ADRA2C P18825 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADRA2B P18089 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HTR2B P41595 2/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR1E P28566 1/20 0.49

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
SCHEMBL1506610 0.83 TMEM97 (0.63) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL3428680 0.83 NPC1 (0.55) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2061335 0.83 NPC1 (0.50) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL2061081 0.78 NPC1 (0.52) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL27041869 0.77 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL325572 0.77 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31276469 0.77 TMEM97 (0.60) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL2062918 0.75 TMEM97 (0.49) SMN1; SMN2TMEM97SIGMAR1HRH1HRH3
SCHEMBL2061088 0.75 NPC1 (0.46) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL324086 0.75 TMEM97 (0.64) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1

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 SMN1; SMN2 2836/4885NPC1 3414/4885RAB9A 2927/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET SMN1; SMN2 2836/4885NPC1 3414/4885RAB9A 2927/4885

“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.

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