SCHEMBL4500500

SCHEMBL4500500

O=C(NC1CCc2ccccc21)c1c[c]ccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
TAS1R3 Q7RTX0 6/20 0.53
TAS1R1 Q7RTX1 6/20 0.53
ALDH1A1 P00352 5/20 0.53
TAS1R2 Q8TE23 3/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1601602 0.85 HTT (0.66) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL3460628 0.84 HTT (0.83) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL29742388 0.84 HTT (0.83) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL3459886 0.84 HTT (0.83) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL2465110 0.84 HTT (0.83) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL4626769 0.84 HTT (0.58) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL6570868 0.78 LMNA (0.69) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL19630401 0.77 HTT (0.66) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL10528660 0.77 HTT (0.66) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL8160654 0.77 HTT (0.70) HTTPDE4APDE4BPDE4CPDE4D

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-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 US disclosed
US-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors CEPHALON, INC. (US) 2008-02-07 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-20080032972-A1 Pyridopyrazines and derivatives thereof as alk and c-Met inhibitors ALK, MET, RET HTT 3168/4885PDE4A 2270/4885PDE4B 2995/4885

“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.