SCHEMBL519648

SCHEMBL519648

O=C(OCc1ccccc1)N1CCN(C2CCCNC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TMEM97 Q5BJF2 7/20 0.53
SIGMAR1 Q99720 7/20 0.53
HRH3 Q9Y5N1 3/20 0.53
HTR1A P08908 2/20 0.53
HRH2 P25021 2/20 0.53
HRH1 P35367 2/20 0.53
ADRA2C P18825 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR2C P28335 2/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL26099888 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL589097 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL693066 0.88 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL519379 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL13636153 0.85 SIGMAR1 (0.65) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL1778692 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19KDM4E
SCHEMBL28537663 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
Hydrochloric Acid SCHEMBL1778733 0.81 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19KDM4E
SCHEMBL3678408 0.81 TMEM97 (0.57) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL22765331 0.81 TMEM97 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (1 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SMN1; SMN2 4722/4885NPC1 3543/4885RAB9A 3888/4885

“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.