SCHEMBL521174

SCHEMBL521174

Nc1ccc2c(c1)C(N1CCOCC1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 1/20 0.40
MTNR1B P49286 1/20 0.38
KCNA5 P22460 1/20 0.38
SCN5A Q14524 1/20 0.38
PIK3CD O00329 1/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL27986289 0.84 GAA (0.44) CNR1CNR2GAAMAPTSMN1; SMN2
SCHEMBL7008801 0.84 CHRNA7 (0.53) CHRNA7BRD4ATAD2
SCHEMBL7510798 0.82 CHRNA7 (0.55) CHRNA7
SCHEMBL7007153 0.81 CHRNA7 (0.61) CHRNA7
SCHEMBL6406991 0.80 MTNR1B (0.47) CNR1CNR2MAPTCHRNA7MTNR1B
Iodide SCHEMBL8219528 0.80 CHRNA7 (0.59) CHRNA7
Hydrochloric Acid SCHEMBL7015509 0.80 CHRNA7 (0.59) CHRNA7
SCHEMBL2912290 0.76 CNR1 (0.38) CNR1CNR2GAAMAPTSMN1; SMN2
SCHEMBL24740620 0.75 GAA (0.43) GAAMAPTSMN1; SMN2BRD4ATAD2
SCHEMBL28865309 0.73 SMN1; SMN2 (0.41) CNR1CNR2GAAMAPTSMN1; SMN2

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 CNR1 1990/4885CNR2 1852/4885GAA 3085/4885

“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.