SCHEMBL6832888

SCHEMBL6832888

Brc1ccc2nncc(Nc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.51
ADRB2 P07550 1/20 0.50
PIK3CD O00329 3/20 0.47
MAPT P10636 3/20 0.44
NPM1 P06748 1/20 0.41
EGFR P00533 1/20 0.40
CNR1 P21554 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HDAC3 O15379 1/20 0.40
APP P05067 1/20 0.40
ACHE P22303 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1116019 0.81 EGFR (0.63) ALKEGFRGAK
SCHEMBL1116308 0.80 KDM1A (0.48) ALKPIK3CDMAPTEGFRABL1
SCHEMBL6857685 0.78 HTT (0.56) PIK3CDCNR1CCNCCDK8APP
SCHEMBL31271666 0.78 AXL (0.40) ALKPIK3CDMAPTNCOR2RXFP1
SCHEMBL6830238 0.78 SLC22A12 (0.38) ADRB2MAPTCCNCCDK8GAK
SCHEMBL24151556 0.77 ALK (0.78) ALKADRB2EGFRCCNCCDK8
SCHEMBL17075845 0.76 PTK6 (0.51) EGFRGAK
SCHEMBL17910986 0.76 CCNC (0.67) MAPTCNR1CCNCCDK8
SCHEMBL5244978 0.74 EGFR (0.53) PIK3CDEGFRGAKEPHB6RIPK2
SCHEMBL5244871 0.72 EGFR (0.68) MAPTEGFRGAKABL1

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 ALK 823/4885ADRB2 4364/4885PIK3CD 186/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALK 823/4885ADRB2 4364/4885PIK3CD 186/4885

“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.