SCHEMBL9918315

SCHEMBL9918315

C#Cc1ccc(N2CCC(C)C(C(C)C)C2)nn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 7/20 0.34
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KLF5 Q13887 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
TACR3 P29371 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL9918294 1.00 PANK3 (0.34) PANK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9918329 0.91 PANK3 (0.34) PANK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9918311 0.91 PANK3 (0.34) PANK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9920182 0.87 PANK3 (0.44) PANK3JAK2JAK1TYK2JAK3
SCHEMBL14790984 0.84 CHRNB2 (0.32) PANK3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9918323 0.79 JAK2 (0.37) PANK3JAK2JAK1JAK3
SCHEMBL9918297 0.79 JAK2 (0.37) PANK3JAK2JAK1JAK3
SCHEMBL9920484 0.78 PANK3 (0.45) PANK3JAK2JAK1TYK2JAK3
SCHEMBL12832912 0.71 GRIN2D (0.41)
SCHEMBL9920171 0.71 GPR119 (0.47) PANK3JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PANK3 277/4885CHRNB2 4883/4885CHRNB4 4884/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PANK3 289/4885CHRNB2 4879/4885CHRNB4 4883/4885

“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.