SCHEMBL6832887

SCHEMBL6832887

OC(COc1cncc(Br)c1)CN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
USP2 O75604 1/20 0.65
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.60
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ABCB1 P08183 3/20 0.50

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
SCHEMBL20898158 0.80 TSHR (0.97) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL4578170 0.78 USP2 (0.83) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL3577214 0.78 TSHR (0.55) TSHRKDM4EALDH1A1
SCHEMBL11736541 0.77 TSHR (0.90) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL15884439 0.76 HRH3 (0.54) TSHRUSP2MAPK1SMN1; SMN2KDM4E
SCHEMBL6857854 0.76 AAK1 (0.40) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL4578593 0.76 L3MBTL1 (1.00) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL16392430 0.75 L3MBTL1 (0.74) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL24378058 0.74 PKM (0.84) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8356145 0.74 PKM (0.84) TSHRUSP2MAPK1L3MBTL1SMN1; SMN2

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 TSHR 3945/4885USP2 2356/4885MAPK1 40/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 TSHR 3945/4885USP2 2356/4885MAPK1 40/4885

“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.