SCHEMBL4875434

SCHEMBL4875434

[c]1ccc(OC2CCNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HRH1 P35367 1/20 0.52
PRKCZ Q05513 1/20 0.48
ROCK1 Q13464 3/20 0.44
CHUK O15111 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT1 P31749 1/20 0.43
CLK2 P49760 1/20 0.43
PRKX P51817 1/20 0.43
PRKG2 Q13237 1/20 0.43
DYRK1A Q13627 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN2 Q16513 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL1895833 0.89 HRH1 (0.66) CHRNB2CHRNA4HRH1ROCK1CHUK
SCHEMBL1813676 0.84 SLC6A2 (0.48) HRH1HTR1ASLC6A2
SCHEMBL226349 0.81 HRH1 (0.78) CHRNB2CHRNA4HRH1PRKCZHTR2C
SCHEMBL14828522 0.81 HRH1 (0.78) CHRNB2CHRNA4HRH1PRKCZHTR2C
SCHEMBL2523551 0.81 HRH1 (0.78) CHRNB2CHRNA4HRH1PRKCZHTR2C
SCHEMBL14775243 0.81 HRH1 (0.56) CHRNB2CHRNA4HRH1ROCK1ROCK2
Hydrochloric Acid SCHEMBL796443 0.79 HRH1 (0.75) CHRNB2CHRNA4HRH1PRKCZHTR2C
SCHEMBL4067092 0.79 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL3133920 0.79 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1
SCHEMBL7000861 0.79 PRKCZ (0.56) CHRNB2CHRNA4HRH1PRKCZROCK1

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
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
US-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-09-04 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-20080214582-A1 Purine Derivatives as Inhibitors of Receptor Tyrosine Kinase Activity TIE1, FLT1, RET CHRNB2 2879/4885CHRNA4 3592/4885HRH1 521/4885

“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.