SCHEMBL522196

SCHEMBL522196

Cc1cc2[nH]c(=O)oc2cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.53
NOS2 P35228 4/20 0.53
NOS3 P29474 3/20 0.53
KMO O15229 1/20 0.52
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
OGT O15294 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL11040016 0.93 NOS1 (0.53) NOS1NOS2NOS3KMOTSHR
SCHEMBL9680309 0.84 KMO (0.59) NOS1NOS2NOS3KMOTSHR
SCHEMBL17069084 0.84 NOS1 (0.60) NOS1NOS2NOS3KMOTSHR
SCHEMBL5543211 0.81 NOS1 (0.53) NOS1NOS2NOS3KMOTSHR
SCHEMBL9370924 0.79 KMO (0.49) NOS1NOS2NOS3KMOTSHR
SCHEMBL7067142 0.78 KMO (0.52) NOS1NOS2NOS3KMOTSHR
SCHEMBL5539700 0.78 NOS1 (0.53) NOS1NOS2NOS3KMOTSHR
SCHEMBL5536562 0.78 NOS1 (0.53) NOS1NOS2NOS3KMOTSHR
SCHEMBL1115840 0.78 KMO (0.72) NOS1NOS2NOS3KMOTSHR
SCHEMBL5542896 0.78 KMO (0.72) NOS1NOS2NOS3KMOTSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997920-A Dyeing polyolefins CIBA-GEIGY CORPORATION (US) 1991-03-05 US claimed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US claimed
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
EP-0755933-B1 Blue diketopyrrolopyrrole pigments CIBA SC HOLDING AG (CH) 2002-03-27 EP disclosed
US-5817832-A Blue diketopyrrolopyrrole pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-10-06 US disclosed
EP-0755933-A1 Blue diketopyrrolopyrrole pigments Ciba SC Holding AG (CH) 1997-01-29 EP disclosed
EP-0385664-B1 Antiinflammatory benzoxazolones PFIZER (US) 1994-01-12 EP disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
EP-0006154-A1 Monoazo pigments and their use in colouring high molecular-weight organic material CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed
EP-0000737-A1 Monoazo pigments of the acetoacetylamino benzimidazolone series, their preparation and their use for colouring organic material of high molecular weight CIBA-GEIGY AG (CH) 1979-02-21 EP disclosed
US-4116959-A ISOINDOLINE PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-4088641-A YELLOW TO RED SHADES CIBA-GEIGY CORPORATION (US) 1978-05-09 US disclosed
US-4052410-A YELLOW, PLASTICS, LACQUERS CIBA-GEIGY CORPORATION (US) 1977-10-04 US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed
US-3979386-A YELLOW, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1976-09-07 US disclosed
US-3956266-A DISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-05-11 US 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 3195/4885NOS3 2856/4885

“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.