SCHEMBL2555403

SCHEMBL2555403

Nc1cc(Sc2ccc(N)c3ccccc23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.40
DYRK1A Q13627 4/20 0.36
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC3 O15379 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3B P49841 1/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK10 P53779 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
SCHEMBL2552028 0.85 NCF1 (0.38) NCF1IDO1KDM4EHDAC3EP300
SCHEMBL11716017 0.76 TUBB4A (0.44) DYRK1AIDO1KDM4EHDAC3EP300
SCHEMBL11478259 0.74 NOS1 (0.42) DYRK1ANOS3NOS1NOS2KDM4E
SCHEMBL225136 0.67 CYP3A4 (0.50) NCF1DYRK1AIDO1KDM4EHDAC3
SCHEMBL1891258 0.67 CYP3A4 (0.56) DYRK1ANOS3NOS1NOS2KDM4E
SCHEMBL190818 0.66 SIRT2 (0.44) NCF1NOS3NOS1NOS2SIRT2
SCHEMBL535725 0.66 IDO1 (0.46) NCF1NOS3NOS1NOS2IDO1
SCHEMBL2552135 0.66 NOS3 (0.46) NCF1NOS3NOS1NOS2IDO1
SCHEMBL913771 0.64
SCHEMBL11714967 0.64 IDO1 (0.47) NCF1DYRK1AIDO1KDM4EHDAC3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-9024041-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-05-05 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
US-20130040962-A1 P38 MAP Kinase Inhibitors RESPIVERT LTD (GB) 2013-02-14 US disclosed
EP-2556068-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
WO-2011124930-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-13 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-20130040962-A1 P38 MAP Kinase Inhibitors MAPK15, MAPK1, MAP3K15 NCF1 906/4885DYRK1A 2330/4885NOS3 114/4885

“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.