SCHEMBL6833516

SCHEMBL6833516

C[Sn](C)(C)c1ccc2cnc(Cl)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
AKT1 P31749 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 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
SCHEMBL2757283 0.75 CYP1A2 (0.52) GRM4CYP1A2CYP2A6
SCHEMBL15941610 0.74 ALDH1A1 (0.38)
SCHEMBL1793381 0.72 CYP2A6 (0.38) CYP1A2CYP2A6
SCHEMBL20951048 0.72 ALDH1A1 (0.36) GRM4
SCHEMBL1641406 0.71 PIK3CD (0.39) CYP2A6
SCHEMBL6833006 0.71 GSK3A (0.49) GRM4CYP1A2CYP2A6
SCHEMBL30676613 0.71 EGFR (0.46) GRM4
SCHEMBL15447404 0.71 MAPT (0.43) GRM4CYP1A2
SCHEMBL31263588 0.71 GSK3A (0.49) GRM4CYP1A2CYP2A6
SCHEMBL28862364 0.71 GRM4 (0.38) GRM4AKT1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GRM4 4512/4885AKT1 119/4885CYP1A2 3486/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GRM4 4512/4885AKT1 119/4885CYP1A2 3486/4885

“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.