SCHEMBL3655768

SCHEMBL3655768

NC1=Nc2ccc(F)cc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
ALDH1A1 P00352 4/20 0.38
GFER P55789 2/20 0.37
AXL P30530 1/20 0.37
BACE1 P56817 1/20 0.35
APP P05067 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
KEAP1 Q14145 1/20 0.31
BCHE P06276 4/20 0.31
ACHE P22303 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
HTR5A P47898 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3655765 0.91 NOS3 (0.39) NOS3NOS1NOS2ALDH1A1GFER
SCHEMBL20895105 0.69 NOS1 (0.38) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL1947186 0.69 NOS1 (0.38) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL4158436 0.68 HTR5A (0.41) NOS3NOS1NOS2ALDH1A1GFER
SCHEMBL4155203 0.68 HTR5A (0.41) NOS3NOS1NOS2ALDH1A1BACE1
SCHEMBL7497696 0.65 ACHE (0.33) NOS3NOS1NOS2KEAP1ACHE
SCHEMBL22444488 0.64 CA9 (0.37) NOS3NOS1NOS2ALDH1A1BACE1
SCHEMBL3657707 0.64 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL207132 0.59 CA3 (0.31) NOS3NOS1NOS2ALDH1A1
SCHEMBL208894 0.59 CA3 (0.31) NOS3NOS1NOS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US claimed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 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 (2 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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR NOS3 4270/4885NOS1 3792/4885NOS2 4467/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR NOS3 4270/4885NOS1 3792/4885NOS2 4467/4885

“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.