SCHEMBL14320600

SCHEMBL14320600

Nc1ccc(C2=NCCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35

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
SCHEMBL1645947 0.90 NOS3 (0.44) NOS3NOS1NOS2KCNH2HRH3
SCHEMBL1856955 0.88 NPC1 (0.43) NPC1RAB9AKCNH2HRH3LTA4H
SCHEMBL10520360 0.86 KCNH2 (0.48) NOS3NOS1NOS2KCNH2HRH3
SCHEMBL9862901 0.81 KCNH2 (0.38) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL10424022 0.81 NISCH (0.44) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL9319771 0.80 CHRNB4 (0.44) NOS3NOS1NOS2NPC1RAB9A
Water SCHEMBL27953717 0.79 KCNH2 (0.38) NOS3NOS1NOS2KCNH2HRH3
Hydrochloric Acid SCHEMBL9216279 0.79 KCNH2 (0.38) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL10523764 0.79 NOS3 (0.46) NOS3NOS1NOS2ALDH1A1CYP3A4
SCHEMBL533503 0.77 NOS3 (0.38) NOS3NOS1NOS2KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS3 1955/4885NOS1 1289/4885NOS2 1343/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS3 1854/4885NOS1 2068/4885NOS2 2534/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NOS3 1955/4885NOS1 1289/4885NOS2 1343/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NOS3 1955/4885NOS1 1289/4885NOS2 1343/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NOS3 2595/4885NOS1 1989/4885NOS2 1980/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOS3 1832/4885NOS1 1266/4885NOS2 1280/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NOS3 1832/4885NOS1 1266/4885NOS2 1280/4885

“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.