SCHEMBL522732

SCHEMBL522732

Cc1c(N)ccc2[nH]c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.44
NOS2 P35228 3/20 0.43
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS3 P29474 2/20 0.41
OGT O15294 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
F2 P00734 1/20 0.35
CFD P00746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CREBBP Q92793 1/20 0.34
TSHR P16473 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL23137519 0.82 NOS1 (0.48) NOS1NOS2GAANOS3OGT
SCHEMBL6508140 0.79 ESR1 (0.44) NOS1NOS2GAAKDM4EALDH1A1
SCHEMBL14534370 0.78 NOS1 (0.44) NOS1NOS2GAANOS3OGT
SCHEMBL19406050 0.78 NOS1 (0.44) NOS1NOS2GAAHPGDNOS3
SCHEMBL9369604 0.78 OGT (0.37) NOS1NOS2KDM4EALDH1A1NOS3
SCHEMBL14082407 0.78 NOS1 (0.44) NOS1NOS2GAAKDM4EALDH1A1
SCHEMBL9370667 0.78 NOS1 (0.41) NOS1NOS2GAAKDM4EALDH1A1
SCHEMBL1250234 0.73 PSMB8 (0.61) NOS1NOS2KDM4EALDH1A1NOS3
SCHEMBL4869776 0.73 NOS1 (0.40) NOS1NOS2GAAALDH1A1NOS3
SCHEMBL522306 0.73 TSHR (0.43) NOS1NOS2HPGDHSD17B10NOS3

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 NOS1 3254/4885NOS2 3195/4885GAA 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.